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CAS 934591-76-1 Methyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-β-D-galacto-2-nonulopyranosylonate molecular structure lightbox
CAS RN: 934591-76-1

Methyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-β-D-galacto-2-nonulopyranosylonate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-207697
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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: >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 934591-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

934591-76-1 / methyl (3aR,4R,6R,7aS)-3-acetyl-2-oxo-6-phenylsulfanyl-4-[(1S,2R)-1,2,3-triacetyloxypropyl]-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole-6-carboxylate

Standard CAS: 934591-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
934591-76-1
Multi CAS
Yes
Molecular Formula
C25H29NO12S
Molecular Weight
567.600000
Exact Mass
567.141047
InChI
InChI=1S/C25H29NO12S/c1-13(27)26-20-18(37-24(26)32)11-25(23(31)33-5,39-17-9-7-6-8-10-17)38-22(20)21(36-16(4)30)19(35-15(3)29)12-34-14(2)28/h6-10,18-22H,11-12H2,1-5H3/t18-,19+,20+,21+,22+,25+/m0/s1
InChIKey
CVMYPHWPKCZUMN-TUTCKEIYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
9
H-bond acceptors
13
Molar refractivity
130.85
TPSA
161.04

LogP / Solubility

WLOGP
1.6
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.58
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-5.05

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
7

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