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CAS 34340-51-7 2,3-Dihydroamentoflavone molecular structure lightbox
CAS RN: 34340-51-7

2,3-Dihydroamentoflavone

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Batchno.20260319 5mg Out of stock Inquiry
  • Product code: starshine_CAS34340-51-7
  • Purity/Analytical Methods: >99.0%
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34340-51-7 / 8-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 34340-51-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34340-51-7
Multi CAS
Yes
Molecular Formula
C30H20O10
Molecular Weight
540.500000
Exact Mass
540.105647
InChI
InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-10,12,25,31-36H,11H2
InChIKey
JVBCTBWKMWXQQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
28
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
6
Molar refractivity
142.1
TPSA
177.89

LogP / Solubility

WLOGP
5.07
MLOGP
4.5
XLogP3
4.8
Consensus LogP
4.79
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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