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CAS 956107-32-7 Methyl (1-Adamantanyl 5-acetamido-7,8,9-tri-O-acetyl-5-N,4- O-carbonyl-3,5-dideoxy-2-thio-D-glycero-a-D-galacto-non-2-ulopyranoside) onate molecular structure lightbox
CAS RN: 956107-32-7

Methyl (1-Adamantanyl 5-acetamido-7,8,9-tri-O-acetyl-5-N,4- O-carbonyl-3,5-dideoxy-2-thio-D-glycero-a-D-galacto-non-2-ulopyranoside) onate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-211107
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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 956107-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry

956107-32-7 / methyl (3aR,4R,6R,7aS)-3-acetyl-6-(1-adamantylsulfanyl)-2-oxo-4-[(1S,2R)-1,2,3-triacetyloxypropyl]-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole-6-carboxylate

Standard CAS: 956107-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956107-32-7
Multi CAS
Yes
Molecular Formula
C29H39NO12S
Molecular Weight
625.700000
Exact Mass
625.219297
InChI
InChI=1S/C29H39NO12S/c1-14(31)30-23-21(41-27(30)36)12-29(26(35)37-5,43-28-9-18-6-19(10-28)8-20(7-18)11-28)42-25(23)24(40-17(4)34)22(39-16(3)33)13-38-15(2)32/h18-25H,6-13H2,1-5H3
InChIKey
CBVNXKNGWZDTIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.79
Rotatable bonds
9
H-bond acceptors
13
Molar refractivity
147.05
TPSA
161.04

LogP / Solubility

WLOGP
2.51
MLOGP
2.26
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
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)
-4.76

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

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