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CAS 125598-74-5 2,3,5-TRI-O-BENZYL-L-ARABINOFURANOSE molecular structure lightbox
CAS RN: 125598-74-5

2,3,5-TRI-O-BENZYL-L-ARABINOFURANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS125598-74-5
  • Purity/Analytical Methods: >99.0%
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125598-74-5 / [(2R,3R,4R,5R)-5-chloro-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate

Standard CAS: 125598-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125598-74-5
Multi CAS
No
Molecular Formula
C26H18Cl4O7
Molecular Weight
584.200000
Exact Mass
583.977714
SMILES
C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@H](O2)Cl)OC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H18Cl4O7/c27-17-7-1-14(2-8-17)24(31)34-13-20-21(36-25(32)15-3-9-18(28)10-4-15)22(23(30)35-20)37-26(33)16-5-11-19(29)12-6-16/h1-12,20-23H,13H2/t20-,21-,22-,23+/m1/s1
InChIKey
XVLSIQHWHHLLPV-ODAXIHTASA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
137.56
TPSA
88.13

LogP / Solubility

WLOGP
6.22
MLOGP
5.52
XLogP3
7.3
Consensus LogP
6.35
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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