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CAS 155569-91-8 Emamectin benzoate molecular structure lightbox
CAS RN: 155569-91-8

Emamectin benzoate

Product Availability

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13 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 1g In stock Inquiry
Batchno.20251119 250mg Out of stock Inquiry
Batchno.20250424 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20250516 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260219 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250523 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250121 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251121 25mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250629 500g Out of stock Inquiry
Batchno.20260528 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100mg In stock Inquiry
  • Product code: SSC-064840
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 155569-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

155569-91-8 / benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Standard CAS: 155569-91-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
155569-91-8
Multi CAS
No
Molecular Formula
C56H81NO15
Molecular Weight
1008.200000
Exact Mass
1007.560621
SMILES
CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)NC)OC)OC)\C)C.C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1
InChIKey
GCKZANITAMOIAR-XWVCPFKXSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
10
H-bond acceptors
15
H-bond donors
4
Molar refractivity
267.55
TPSA
199.16

LogP / Solubility

WLOGP
6.99
MLOGP
6.25
XLogP3
6.99
Consensus LogP
6.74
Log S (ESOL)
-9.9
Class (ESOL)
Insoluble
Log S (Ali)
-12.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Health Hazard Environmental Hazard Irritant
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, and P501 P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P330, P391, P403+P233, P405, and P501 P261, P262, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P391, P403+P233, P405, and P501 P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P318, P319, P321, P330, P337+P317, P362+P364, P405, and P501

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