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CAS 123748-68-5 AESCIN IA(SH) molecular structure lightbox
CAS RN: 123748-68-5

AESCIN IA(SH)

Product Availability

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11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 100mg In stock Inquiry
Batchno.20260409 10mg In stock Inquiry
Batchno.20260514 1mg In stock Inquiry
Batchno.20260428 25mg In stock Inquiry
Batchno.20250725 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100mg In stock Shanghai Inquiry
Batchno.20251222 10mg In stock Shanghai Inquiry
Batchno.20251104 250mg In stock Shanghai Inquiry
Batchno.20251014 25mg In stock Shanghai Inquiry
Batchno.20260621 50mg In stock Shanghai Inquiry
Batchno.20250818 5mg In stock Shanghai Inquiry
  • Product code: SSC-027450
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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: 0.25g
  • Available purity: ≥97%
  • 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 123748-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry

123748-68-5 / (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid

Standard CAS: 123748-68-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123748-68-5
Multi CAS
No
Molecular Formula
C55H86O24
Molecular Weight
1131.300000
Exact Mass
1130.550904
SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C
InChI
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
InChIKey
AXNVHPCVMSNXNP-IVKVKCDBSA-N

Computed Properties

Structural Parameters

Heavy atom count
79
Fraction Csp3
0.87
Rotatable bonds
14
H-bond acceptors
23
H-bond donors
13
Molar refractivity
269.01
TPSA
388.04

LogP / Solubility

WLOGP
-1.32
MLOGP
-1.05
XLogP3
0.7
Consensus LogP
-0.56
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.56

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)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P391, P403+P233, P405, and P501

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