CAS RN: 162135-93-5
3-PHENYL-QUINOXALINE-5-CARBOXYLIC ACID
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.20250130 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS162135-93-5
- Purity/Analytical Methods: >99.0%
162135-93-5 / 3-phenylquinoxaline-5-carboxylic acid
Basic Information
CAS
162135-93-5
Multi CAS
No
Molecular Formula
C15H10N2O2
Molecular Weight
250.250000
Exact Mass
250.074228
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N=C2)C(=O)O
InChI
InChI=1S/C15H10N2O2/c18-15(19)11-7-4-8-12-14(11)17-13(9-16-12)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKey
OIVGUXVBKAIKBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.93
TPSA
63.08
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-2.12
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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