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CAS 36190-98-4 Genistein 7,4′-di-O-β-D-glucopyranoside molecular structure lightbox
CAS RN: 36190-98-4

Genistein 7,4′-di-O-β-D-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36190-98-4
  • Purity/Analytical Methods: >99.0%
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36190-98-4 / 5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Standard CAS: 36190-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36190-98-4
Multi CAS
Yes
Molecular Formula
C27H30O15
Molecular Weight
594.500000
Exact Mass
594.158470
InChI
InChI=1S/C27H30O15/c28-7-16-20(32)22(34)24(36)26(41-16)39-11-3-1-10(2-4-11)13-9-38-15-6-12(5-14(30)18(15)19(13)31)40-27-25(37)23(35)21(33)17(8-29)42-27/h1-6,9,16-17,20-30,32-37H,7-8H2/t16-,17-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey
OUJDQONJYHNTDX-UMUUNPGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
15
H-bond donors
9
Molar refractivity
138.38
TPSA
249.2

LogP / Solubility

WLOGP
-2.48
MLOGP
-2.13
XLogP3
-0.9
Consensus LogP
-1.84
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-8.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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