CAS RN: 56252-32-5
2-Hydroxy-9-phenyl-1H-phenalen-1-one
Product Availability
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3 package records1 with current stock2 grade groups
- Product code: starshine_CAS56252-32-5
- Purity/Analytical Methods: >99.0%
56252-32-5 / 2-hydroxy-9-phenylphenalen-1-one
Basic Information
CAS
56252-32-5
Multi CAS
No
Molecular Formula
C19H12O2
Molecular Weight
272.300000
Exact Mass
272.083730
InChI
InChI=1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H
InChIKey
ACJJXELQAJQSLK-UHFFFAOYSA-N
Physical Properties
Melting Point
123 - 125 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.32
TPSA
37.3
LogP / Solubility
WLOGP
4.6
MLOGP
4.06
XLogP3
4.7
Consensus LogP
4.45
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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