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CAS 32742-30-6 4-Methylphenyl tetra-O-acetyl-alpha-Dglucopyranoside molecular structure lightbox
CAS RN: 32742-30-6

4-Methylphenyl tetra-O-acetyl-alpha-Dglucopyranoside

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS32742-30-6
  • Purity/Analytical Methods: >99.0%
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32742-30-6 / [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-methylphenoxy)oxan-2-yl]methyl acetate

Standard CAS: 32742-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32742-30-6
Multi CAS
No
Molecular Formula
C21H26O10
Molecular Weight
438.400000
Exact Mass
438.152597
InChI
InChI=1S/C21H26O10/c1-11-6-8-16(9-7-11)30-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(31-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey
OBNBHYQEYRONSE-ADAARDCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
103.76
TPSA
123.66

LogP / Solubility

WLOGP
1.46
MLOGP
1.31
XLogP3
2.8
Consensus LogP
1.86
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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