[email protected]
CAS 197005-22-4 Phenyl 2,4,6-Tri-O-acetyl-3-O-allyl-1-thio-β-D-glucopyranoside molecular structure lightbox
CAS RN: 197005-22-4

Phenyl 2,4,6-Tri-O-acetyl-3-O-allyl-1-thio-β-D-glucopyranoside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-092939
GET A QUOTE
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
Request Bulk Quote

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 197005-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

197005-22-4 / [(2R,3R,4S,5R,6S)-3,5-diacetyloxy-6-phenylsulfanyl-4-prop-2-enoxyoxan-2-yl]methyl acetate

Standard CAS: 197005-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197005-22-4
Multi CAS
No
Molecular Formula
C21H26O8S
Molecular Weight
438.500000
Exact Mass
438.134839
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C)OCC=C)OC(=O)C
InChI
InChI=1S/C21H26O8S/c1-5-11-25-19-18(27-14(3)23)17(12-26-13(2)22)29-21(20(19)28-15(4)24)30-16-9-7-6-8-10-16/h5-10,17-21H,1,11-12H2,2-4H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey
AEZBNOXQHIZNTR-ADAARDCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
9
H-bond acceptors
9
Molar refractivity
108.64
TPSA
97.36

LogP / Solubility

WLOGP
2.5
MLOGP
2.23
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us