2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-
TL;DR: 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- (CAS 72113-45-2) is a chemical compound with molecular formula C15H12ClN5 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile
Also Known As: 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-, 5-(3-chlorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile, 2,3-dicyano-5-n-propylamino-6-(m-chlorophenyl)pyrazine
| Molecular Formula | C15H12ClN5 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07812 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 72113-45-2 |
|---|---|
| SMILES | CCCNC1=NC(=C(N=C1C2=CC(=CC=C2)Cl)C#N)C#N |
| InChIKey | PPGJFOXCUVMTRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- (CAS 72113-45-2), with molecular formula C15H12ClN5 and molecular weight 297.08 g/mol. IUPAC: 5-(3-chlorophenyl)-6-(propylamino)pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-
Property Insights of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-
The XLogP value of 3.4 indicates that 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-. Following Lipinski's Rule of Five, 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- has 1 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 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-?
The CAS number of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- is 72113-45-2.
What is the molecular formula of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-?
The molecular formula of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- is C15H12ClN5.
What is the molecular weight of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-?
The molecular weight of 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- is 297.08 g/mol.
Where can I buy 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-?
You can request a quote for 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Pyrazinedicarbonitrile, 5-(3-chlorophenyl)-6-(propylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.