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CAS 1017587-57-3 Phenyl 3-O-Allyl-2,4,6-tri-O-benzyl-1-thio-β-D-galactopyranoside molecular structure lightbox
CAS RN: 1017587-57-3

Phenyl 3-O-Allyl-2,4,6-tri-O-benzyl-1-thio-β-D-galactopyranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250410 250mg In stock Shanghai Inquiry
  • Product code: SSC-002737
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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 1017587-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1017587-57-3 / (2R,3S,4S,5R,6S)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-4-prop-2-enoxyoxane

Gal[246Bn,3All]-beta-SPh | DTXSID50693683 | NS00000975

Standard CAS: 1017587-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1017587-57-3
Multi CAS
Yes
Molecular Formula
C36H38O5S
Molecular Weight
582.700000
Exact Mass
582.243995
SMILES
C=CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1OCC2=CC=CC=C2)SC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C36H38O5S/c1-2-23-38-34-33(39-25-29-17-9-4-10-18-29)32(27-37-24-28-15-7-3-8-16-28)41-36(42-31-21-13-6-14-22-31)35(34)40-26-30-19-11-5-12-20-30/h2-22,32-36H,1,23-27H2/t32-,33+,34+,35-,36+/m1/s1
InChIKey
OZARVANREPUDBF-BVMCXEQJSA-N
Synonyms
Gal[246Bn,3All]-beta-SPh DTXSID50693683 NS00000975 P1660 Phenyl 2,4,6-tri-O-benzyl-3-O-(prop-2-en-1-yl)-1-thio-alpha-L-allopyranoside

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
167.03
TPSA
46.15

LogP / Solubility

WLOGP
7.46
MLOGP
6.61
XLogP3
7
Consensus LogP
7.02
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-9.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
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)
-0.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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