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CAS 509077-91-2 Taiwanhomoflavone B molecular structure lightbox
CAS RN: 509077-91-2

Taiwanhomoflavone B

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Batchno.20251119 5mg Out of stock Inquiry
  • Product code: starshine_CAS509077-91-2
  • Purity/Analytical Methods: >99.0%
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509077-91-2 / 6-[4-[(2S)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

Standard CAS: 509077-91-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
509077-91-2
Multi CAS
Yes
Molecular Formula
C32H24O10
Molecular Weight
568.500000
Exact Mass
568.136947
InChI
InChI=1S/C32H24O10/c1-15-20(34)11-25-28(30(15)37)21(35)12-24(41-25)17-5-9-19(10-6-17)40-32-27(39-2)14-26-29(31(32)38)22(36)13-23(42-26)16-3-7-18(33)8-4-16/h3-11,13-14,24,33-34,37-38H,12H2,1-2H3/t24-/m0/s1
InChIKey
KFJPGGGJZYXVJH-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
28
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
151.14
TPSA
155.89

LogP / Solubility

WLOGP
6.1
MLOGP
5.41
XLogP3
5.7
Consensus LogP
5.74
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
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)
-1.86

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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