3-Amino-6-(chloromethyl)pyrazinecarbonitrile
TL;DR: 3-Amino-6-(chloromethyl)pyrazinecarbonitrile (CAS 40375-94-8) is a chemical compound with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6-(chloromethyl)pyrazine-2-carbonitrile
Also Known As: EINECS 254-800-1, 3-Amino-6-(chloromethyl)pyrazinecarbonitrile, 3-amino-6-(chloromethyl)pyrazine-2-carbonitrile, 2-amino-3-cyano-5-chloromethylpyrazine, 2-Amino-3-cyano-5-chloromethyl pyrazine
| Molecular Formula | C6H5ClN4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.02028 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 40375-94-8 |
|---|---|
| SMILES | C1=C(N=C(C(=N1)N)C#N)CCl |
| InChIKey | DFKLUMFIWPTGHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-6-(chloromethyl)pyrazinecarbonitrile (CAS 40375-94-8), with molecular formula C6H5ClN4 and molecular weight 168.02 g/mol. IUPAC: 3-amino-6-(chloromethyl)pyrazine-2-carbonitrile.
Chemical Property Profile of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile
Property Insights of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-6-(chloromethyl)pyrazinecarbonitrile. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-6-(chloromethyl)pyrazinecarbonitrile. Following Lipinski's Rule of Five, 3-Amino-6-(chloromethyl)pyrazinecarbonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-6-(chloromethyl)pyrazinecarbonitrile?
The CAS number of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile is 40375-94-8.
What is the molecular formula of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile?
The molecular formula of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile is C6H5ClN4.
What is the molecular weight of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile?
The molecular weight of 3-Amino-6-(chloromethyl)pyrazinecarbonitrile is 168.02 g/mol.
Where can I buy 3-Amino-6-(chloromethyl)pyrazinecarbonitrile?
You can request a quote for 3-Amino-6-(chloromethyl)pyrazinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-6-(chloromethyl)pyrazinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-6-(chloromethyl)pyrazinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.