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CAS 167612-35-3 Phenyl 2,3,4-Tri-O-benzyl-1-thio-β-L-fucopyranoside molecular structure lightbox
CAS RN: 167612-35-3

Phenyl 2,3,4-Tri-O-benzyl-1-thio-β-L-fucopyranoside

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073121
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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 167612-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

167612-35-3 / (2S,3R,4R,5S,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane

Standard CAS: 167612-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167612-35-3
Multi CAS
No
Molecular Formula
C33H34O4S
Molecular Weight
526.700000
Exact Mass
526.217781
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C33H34O4S/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25-,30+,31+,32-,33+/m0/s1
InChIKey
WGAOZACWMVPQOY-MYSXWRMNSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
11
H-bond acceptors
5
Molar refractivity
151.69
TPSA
36.92

LogP / Solubility

WLOGP
7.28
MLOGP
6.45
XLogP3
6.9
Consensus LogP
6.88
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-9.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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