CAS RN: 2196-14-7
7,4′-DIHYDROXYFLAVONE
Product Availability
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6 package records6 with current stock2 grade groups
- Product code: starshine_CAS2196-14-7
- Purity/Analytical Methods: >99.0%
2196-14-7 / 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
2196-14-7
Multi CAS
No
Molecular Formula
C15H10O4
Molecular Weight
254.240000
Exact Mass
254.057909
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
InChIKey
LCAWNFIFMLXZPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.25
TPSA
70.67
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
3.3
Consensus LogP
2.9
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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