5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
TL;DR: 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 51802-61-0) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
Also Known As: 7-Nitrooxindole, 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile, methylphenyldihydrodiazepinedicarbonitrile, 4772AE, 1W-0353
| Molecular Formula | C14H12N4 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.44066 |
| Topological Polar Surface Area | 71.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.1062 |
| Heavy Atoms | 18 |
| Complexity | 584.46027 |
Chemical Identifiers
| CAS Number | 51802-61-0 |
|---|---|
| SMILES | CC1=NC(=C(NC(C1)C2=CC=CC=C2)C#N)C#N |
Product Overview
5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 51802-61-0), with molecular formula C14H12N4 and molecular weight 236.11 g/mol. IUPAC: 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile.
Chemical Property Profile of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
Property Insights of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
The XLogP value of 2.44066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile. The TPSA of 71.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 5-methyl-7-phenyl-6,7-dihydro-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 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
The CAS number of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is 51802-61-0.
What is the molecular formula of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
The molecular formula of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is C14H12N4.
What is the molecular weight of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
The molecular weight of 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is 236.11 g/mol.
Where can I buy 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
You can request a quote for 5-methyl-7-phenyl-6,7-dihydro-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 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.