3-Chloroquinoxaline-2-carbonitrile
TL;DR: 3-Chloroquinoxaline-2-carbonitrile (CAS 40254-89-5) is a chemical compound with molecular formula C9H4ClN3 and molecular weight 189.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroquinoxaline-2-carbonitrile
Also Known As: 3-chloroquinoxaline-2-carbonitrile, 3-chloro-2-cyanoquinoxaline, 2-Chloroquinoxaline-3-carbonitrile, 2-Quinoxalinecarbonitrile, 3-chloro-, 3-Chloro-2-quinoxalinecarbonitrile
| Molecular Formula | C9H4ClN3 |
|---|---|
| Molecular Weight | 189.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.00937 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 40254-89-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)Cl)C#N |
| InChIKey | XZGCIEFNBLLTSN-UHFFFAOYSA-N |
Product Overview
3-Chloroquinoxaline-2-carbonitrile (CAS 40254-89-5), with molecular formula C9H4ClN3 and molecular weight 189.01 g/mol. IUPAC: 3-chloroquinoxaline-2-carbonitrile.
Chemical Property Profile of 3-Chloroquinoxaline-2-carbonitrile
Property Insights of 3-Chloroquinoxaline-2-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloroquinoxaline-2-carbonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 3-Chloroquinoxaline-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroquinoxaline-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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-Chloroquinoxaline-2-carbonitrile?
The CAS number of 3-Chloroquinoxaline-2-carbonitrile is 40254-89-5.
What is the molecular formula of 3-Chloroquinoxaline-2-carbonitrile?
The molecular formula of 3-Chloroquinoxaline-2-carbonitrile is C9H4ClN3.
What is the molecular weight of 3-Chloroquinoxaline-2-carbonitrile?
The molecular weight of 3-Chloroquinoxaline-2-carbonitrile is 189.01 g/mol.
Where can I buy 3-Chloroquinoxaline-2-carbonitrile?
You can request a quote for 3-Chloroquinoxaline-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroquinoxaline-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroquinoxaline-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.