3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile
TL;DR: 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile (CAS 339106-24-0) is a chemical compound with molecular formula C17H13N5O and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile
Also Known As: 3-(2-aminoanilino)-2-(3-oxo-3,4-dihydro-2-quinoxalinyl)acrylonitrile, 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile, 3-[(2-aminophenyl)amino]-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile
| Molecular Formula | C17H13N5O |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 2.48188 |
| Topological Polar Surface Area | 107.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.112 |
| Heavy Atoms | 23 |
| Complexity | 997.5266 |
Chemical Identifiers
| CAS Number | 339106-24-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)NC=C(C#N)C2=NC3=CC=CC=C3NC2=O |
Product Overview
3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile (CAS 339106-24-0), with molecular formula C17H13N5O and molecular weight 303.11 g/mol. IUPAC: 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile.
Chemical Property Profile of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile
Property Insights of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile
The XLogP value of 2.48188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile. The TPSA of 107.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile?
The CAS number of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile is 339106-24-0.
What is the molecular formula of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile?
The molecular formula of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile is C17H13N5O.
What is the molecular weight of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile?
The molecular weight of 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile is 303.11 g/mol.
Where can I buy 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile?
You can request a quote for 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-aminoanilino)-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.