CAS RN: 480-16-0

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  • Product code: starshine_CAS480-16-0
  • Purity/Analytical Methods: >99.0%
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480-16-0 / 2-(3,5-dihydroxyphenyl)-3,6,8-trihydroxychromen-4-one

Standard CAS: 480-16-0 Multi CAS: Yes

Basic Information

CAS
480-16-0
Multi CAS
Yes
Molecular Formula
C15H10O7
Molecular Weight
302.230000
Exact Mass
302.042653
InChI
InChI=1S/C15H10O7/c16-7-1-6(2-8(17)3-7)14-13(21)12(20)10-4-9(18)5-11(19)15(10)22-14/h1-5,16-19,21H
InChIKey
TWOPRMPXDUADLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
5
Molar refractivity
76.24
TPSA
131.36

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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