CAS RN: 31588-18-8
3-HYDROXY-2-PHENYL-2,3-DIHYDRO-4(1H)-QUINOLINONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31588-18-8
- Purity/Analytical Methods: >99.0%
31588-18-8 / 3-hydroxy-2-phenyl-1H-quinolin-4-one
Basic Information
CAS
31588-18-8
Multi CAS
Yes
Molecular Formula
C15H11NO2
Molecular Weight
237.250000
Exact Mass
237.078979
InChI
InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-13(15(14)18)10-6-2-1-3-7-10/h1-9,18H,(H,16,17)
InChIKey
CVNJPJCBBHOAGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.67
TPSA
53.09
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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