1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
TL;DR: 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 861210-24-4) is a chemical compound with molecular formula C12H16N4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-5,7,7-trimethyl-6H-1,4-diazepine-2,3-dicarbonitrile
Also Known As: 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile, 1-ethyl-5,7,7-trimethyl-6H-1,4-diazepine-2,3-dicarbonitrile, 1H-1,4-Diazepine-2,3-dicarbonitrile, 1-ethyl-6,7-dihydro-5,7,7-trimethyl-
| Molecular Formula | C12H16N4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.21026 |
| Topological Polar Surface Area | 63.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.1375 |
| Heavy Atoms | 16 |
| Complexity | 428.91556 |
Chemical Identifiers
| CAS Number | 861210-24-4 |
|---|---|
| SMILES | CCN1C(=C(N=C(CC1(C)C)C)C#N)C#N |
Product Overview
1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 861210-24-4), with molecular formula C12H16N4 and molecular weight 216.14 g/mol. IUPAC: 1-ethyl-5,7,7-trimethyl-6H-1,4-diazepine-2,3-dicarbonitrile.
Chemical Property Profile of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
Property Insights of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
The XLogP value of 2.21026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile. The TPSA of 63.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile has 0 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 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
The CAS number of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is 861210-24-4.
What is the molecular formula of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
The molecular formula of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is C12H16N4.
What is the molecular weight of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
The molecular weight of 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is 216.14 g/mol.
Where can I buy 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
You can request a quote for 1-ethyl-5,7,7-trimethyl-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 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-5,7,7-trimethyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.