CAS RN: 481-46-9

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  • Product code: starshine_CAS481-46-9
  • Purity/Analytical Methods: >99.0%
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481-46-9 / 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 481-46-9 Multi CAS: No

Basic Information

CAS
481-46-9
Multi CAS
No
Molecular Formula
C32H22O10
Molecular Weight
566.500000
Exact Mass
566.121297
InChI
InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
InChIKey
AIFCFBUSLAEIBR-UHFFFAOYSA-N

Physical Properties

Melting Point
350 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
154.6
TPSA
159.8

LogP / Solubility

WLOGP
5.74
MLOGP
5.1
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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