CAS RN: 32387-96-5
2,3-DIPHENYL-QUINOXALINE-6-CARBOXYLIC ACID
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS32387-96-5
- Purity/Analytical Methods: >99.0%
32387-96-5 / 2,3-diphenylquinoxaline-6-carboxylic acid
Basic Information
CAS
32387-96-5
Multi CAS
No
Molecular Formula
C21H14N2O2
Molecular Weight
326.300000
Exact Mass
326.105528
InChI
InChI=1S/C21H14N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H,(H,24,25)
InChIKey
LFWGZXMTCUOPFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.37
TPSA
63.08
LogP / Solubility
WLOGP
4.66
MLOGP
4.12
XLogP3
4.1
Consensus LogP
4.29
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
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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