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CAS 910805-49-1 Phenyl N-Benzyl-2-amino-4,6-O-benzylidene-2-N,3-O-carbonyl-2-deoxy-1-thio-β-D-glucopyranoside molecular structure lightbox
CAS RN: 910805-49-1

Phenyl N-Benzyl-2-amino-4,6-O-benzylidene-2-N,3-O-carbonyl-2-deoxy-1-thio-β-D-glucopyranoside

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 1g In stock Inquiry
Batchno.20250523 250mg Out of stock 5-7 business days Inquiry
Batchno.20251002 250mg In stock Inquiry
  • Product code: SSC-203913
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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 910805-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

910805-49-1 / (2R,6S,7S,9S,12R)-5-benzyl-12-phenyl-7-phenylsulfanyl-3,8,11,13-tetraoxa-5-azatricyclo[7.4.0.02,6]tridecan-4-one

Standard CAS: 910805-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
910805-49-1
Multi CAS
Yes
Molecular Formula
C27H25NO5S
Molecular Weight
475.600000
Exact Mass
475.145344
InChI
InChI=1S/C27H25NO5S/c29-27-28(16-18-10-4-1-5-11-18)22-24(33-27)23-21(31-26(22)34-20-14-8-3-9-15-20)17-30-25(32-23)19-12-6-2-7-13-19/h1-15,21-26H,16-17H2/t21-,22-,23?,24+,25+,26-/m0/s1
InChIKey
IPBJFGDRNYVDGL-UYTQOTBWSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
127.01
TPSA
57.23

LogP / Solubility

WLOGP
5.01
MLOGP
4.44
XLogP3
4.8
Consensus LogP
4.75
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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