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CAS 34425-25-7 [[(1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2β-yl]methyl]β-D-xylopyranoside molecular structure lightbox
CAS RN: 34425-25-7

[[(1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2β-yl]methyl]β-D-xylopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS34425-25-7
  • Purity/Analytical Methods: >99.0%
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34425-25-7 / 2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol

Standard CAS: 34425-25-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34425-25-7
Multi CAS
Yes
Molecular Formula
C27H36O12
Molecular Weight
552.600000
Exact Mass
552.220677
InChI
InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1
InChIKey
GWDZRGQRNHELQM-VEKSOEEBSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
12
H-bond donors
6
Molar refractivity
135.75
TPSA
176.76

LogP / Solubility

WLOGP
0.5
MLOGP
0.48
XLogP3
0.5
Consensus LogP
0.49
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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