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CAS 1015447-26-3 2,3,5-Tri-O-benzoyl-1-O-acetyl-4-thio-D-ribofuranose molecular structure lightbox
CAS RN: 1015447-26-3

2,3,5-Tri-O-benzoyl-1-O-acetyl-4-thio-D-ribofuranose

  • Product code: SSC-002363
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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: 0.25g
  • 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 1015447-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1015447-26-3 / [(2R,3S,4R)-5-acetyloxy-3,4-dibenzoyloxythiolan-2-yl]methyl benzoate

(3R,4S,5R)-2-acetoxy-5-((benzoyloxy)methyl)tetrahydrothiophene-3,4-diyl dibenzoate

Standard CAS: 1015447-26-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1015447-26-3
Multi CAS
Yes
Molecular Formula
C28H24O8S
Molecular Weight
520.600000
Exact Mass
520.119189
SMILES
CC(=O)OC1[C@@H]([C@@H]([C@H](S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H24O8S/c1-18(29)34-28-24(36-27(32)21-15-9-4-10-16-21)23(35-26(31)20-13-7-3-8-14-20)22(37-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3
InChIKey
ACUZOAXNZDOSKC-UHFFFAOYSA-N
Synonyms
(3R,4S,5R)-2-acetoxy-5-((benzoyloxy)methyl)tetrahydrothiophene-3,4-diyl dibenzoate

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
9
Molar refractivity
134.95
TPSA
105.2

LogP / Solubility

WLOGP
4.3
MLOGP
3.82
XLogP3
5.5
Consensus LogP
4.54
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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