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CAS 13350-45-3 Methyl 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranoside molecular structure lightbox
CAS RN: 13350-45-3

Methyl 2,3,4,6-Tetra-O-acetyl-1-thio-β-D-glucopyranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-040304
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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 13350-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

13350-45-3 / [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methylsulfanyloxan-2-yl]methyl acetate

Standard CAS: 13350-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13350-45-3
Multi CAS
No
Molecular Formula
C15H22O9S
Molecular Weight
378.400000
Exact Mass
378.098453
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15+/m1/s1
InChIKey
XWFUCHLBRWBKGN-QMIVOQANSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
85.47
TPSA
114.43

LogP / Solubility

WLOGP
0.43
MLOGP
0.4
XLogP3
1.4
Consensus LogP
0.74
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-4.72

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

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