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CAS 113507-06-5 Moxidectin molecular structure lightbox
CAS RN: 113507-06-5

Moxidectin

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100g In stock Shanghai Inquiry
Batchno.20250606 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260210 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260214 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20251010 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250728 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-013620
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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: ≥95%
  • 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 113507-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

113507-06-5 / (1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

(1R,4S,4'Z,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-Dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one | 5-hydroxymilbemycin beta7 | EX-A496

Standard CAS: 113507-06-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
113507-06-5
Multi CAS
Yes
Molecular Formula
C37H53NO8
Molecular Weight
639.800000
Exact Mass
639.377118
SMILES
C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C
InChI
InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
InChIKey
YZBLFMPOMVTDJY-LSGXYNIPSA-N
Synonyms
(1R,4S,4'Z,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-Dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one 5-hydroxymilbemycin beta7 EX-A496

Physical Properties

Melting Point
145-154 ºC
Boiling Point
When found in oily form it is expected to boil at 160 ºC

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.68
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
2
Molar refractivity
175.73
TPSA
116.04

LogP / Solubility

WLOGP
5.73
MLOGP
5.09
XLogP3
4.3
Consensus LogP
5.04
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (46.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (45.7%): Harmful if inhaled [Warning Acute toxicity, inhalation] H361 (43.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H372 (44.4%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P337+P317, P391, P405, and P501

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