7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile
TL;DR: 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 861209-95-2) is a chemical compound with molecular formula C14H11ClN4 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
Also Known As: Bionet2_001399, 7-(4-chlorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile, 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile, 5-(4-chlorophenyl)-7-methyl-5,6-dihydro-4H-1,4-diazepine-2,3-dicarbonitrile, RefChem:310114
| Molecular Formula | C14H11ClN4 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 3.09406 |
| Topological Polar Surface Area | 71.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.06723 |
| Heavy Atoms | 19 |
| Complexity | 628.8952 |
Chemical Identifiers
| CAS Number | 861209-95-2 |
|---|---|
| SMILES | CC1=NC(=C(NC(C1)C2=CC=C(C=C2)Cl)C#N)C#N |
Product Overview
7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 861209-95-2), with molecular formula C14H11ClN4 and molecular weight 270.07 g/mol. IUPAC: 7-(4-chlorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile.
Chemical Property Profile of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile
Property Insights of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile
The XLogP value of 3.09406 indicates that 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile 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 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile?
The CAS number of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile is 861209-95-2.
What is the molecular formula of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile?
The molecular formula of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile is C14H11ClN4.
What is the molecular weight of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile?
The molecular weight of 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile is 270.07 g/mol.
Where can I buy 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile?
You can request a quote for 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Chlorophenyl)-6,7-dihydro-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.