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CAS 169532-17-6 Ethyl 2,3,4-Tri-O-benzyl-1-thio-α,-L-fucopyranoside molecular structure lightbox
CAS RN: 169532-17-6

Ethyl 2,3,4-Tri-O-benzyl-1-thio-α,-L-fucopyranoside

  • Product code: SSC-074115
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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 169532-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

169532-17-6 / (3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane

Standard CAS: 169532-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169532-17-6
Multi CAS
No
Molecular Formula
C29H34O4S
Molecular Weight
478.600000
Exact Mass
478.217781
SMILES
CCSC1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29?/m0/s1
InChIKey
RZVKVTBAQRMTEH-JAGXECETSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
5
Molar refractivity
137.52
TPSA
36.92

LogP / Solubility

WLOGP
6.24
MLOGP
5.53
XLogP3
5.7
Consensus LogP
5.82
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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