5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile
TL;DR: 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile (CAS 51802-55-2) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile
Also Known As: 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile, 2-T-BUTYLAMINO-4,5-DICYANOIMIDAZOLE, J1.543.228D, 2,3-dicyano-5,7-dimethyl-6H-1,4-diazepine, RefChem:298884
| Molecular Formula | C9H8N4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.07489 |
| Heavy Atoms | 13 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 51802-55-2 |
|---|---|
| SMILES | CC1=NC(=C(N=C(C1)C)C#N)C#N |
| InChIKey | MAFHEXKPIODQPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile (CAS 51802-55-2), with molecular formula C9H8N4 and molecular weight 172.07 g/mol. IUPAC: 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile.
Chemical Property Profile of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile
Property Insights of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile
The XLogP value of -0.2 indicates that 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 5,7-dimethyl-6H-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 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile?
The CAS number of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile is 51802-55-2.
What is the molecular formula of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile?
The molecular formula of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile is C9H8N4.
What is the molecular weight of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile?
The molecular weight of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile is 172.07 g/mol.
Where can I buy 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile?
You can request a quote for 5,7-dimethyl-6H-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 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.