Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate
TL;DR: Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate (CAS 683274-44-4) is a chemical compound with molecular formula C15H20N4O2 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylpyridine-3-carboxylate
Also Known As: Ethyl 5-cyano-6-methyl-2-homopiperazinonicotinate, ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate, 8085AE, ethyl 5-cyano-2-(homopiperazin-1-yl)-6-methylnicotinate, ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylpyridine-3-carboxylate
| Molecular Formula | C15H20N4O2 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 1.2381 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.15863 |
| Heavy Atoms | 21 |
| Complexity | 557.5274 |
Chemical Identifiers
| CAS Number | 683274-44-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCCNCC2 |
Product Overview
Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate (CAS 683274-44-4), with molecular formula C15H20N4O2 and molecular weight 288.16 g/mol. IUPAC: ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate
Property Insights of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate
The XLogP value of 1.2381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate has 1 hydrogen bond donor(s) and 6 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 Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate?
The CAS number of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate is 683274-44-4.
What is the molecular formula of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate?
The molecular formula of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate is C15H20N4O2.
What is the molecular weight of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate?
The molecular weight of Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate is 288.16 g/mol.
Where can I buy Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate?
You can request a quote for Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.