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CAS 107802-80-2 Methyl 2,3,4-Tri-O-benzyl-1-thio-β-L-fucopyranoside molecular structure lightbox
CAS RN: 107802-80-2

Methyl 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.20250422 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-009181
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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 107802-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

107802-80-2 / (2S,3R,4R,5S,6R)-2-methyl-6-methylsulfanyl-3,4,5-tris(phenylmethoxy)oxane

(2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran | Methyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside | Methyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside

Standard CAS: 107802-80-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107802-80-2
Multi CAS
Yes
Molecular Formula
C28H32O4S
Molecular Weight
464.600000
Exact Mass
464.202131
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)SC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C28H32O4S/c1-21-25(29-18-22-12-6-3-7-13-22)26(30-19-23-14-8-4-9-15-23)27(28(32-21)33-2)31-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25+,26+,27-,28+/m0/s1
InChIKey
DENOSPOKQXYGTJ-NNVCNDCRSA-N
Synonyms
(2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran Methyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside Methyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside MFCD06797141 Methyl 2,3,4-Tri-O-benzyl-1-thio-|A-L-fucopyranoside

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
132.91
TPSA
36.92

LogP / Solubility

WLOGP
5.85
MLOGP
5.18
XLogP3
5.3
Consensus LogP
5.44
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
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)
-1.4

Drug-likeness / Medicinal Chemistry

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

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