![Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate structure](/static/products/4778/477866-15-2.webp)
Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate
TL;DR: Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate (CAS 477866-15-2) is a chemical compound with molecular formula C22H18ClN3O2 and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenylpyridine-3-carboxylate
Also Known As: Bionet1_002386, ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate, 1L-333S, ethyl 6-{[(3-chlorophenyl)methyl]amino}-5-cyano-2-phenylpyridine-3-carboxylate, Ethyl 6-((3-chlorobenzyl)amino)-5-cyano-2-phenylnicotinate
| Molecular Formula | C22H18ClN3O2 |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 5.06248 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.10876 |
| Heavy Atoms | 28 |
| Complexity | 1029.697 |
Chemical Identifiers
| CAS Number | 477866-15-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)NCC2=CC(=CC=C2)Cl)C3=CC=CC=C3 |
Product Overview
Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate (CAS 477866-15-2), with molecular formula C22H18ClN3O2 and molecular weight 391.11 g/mol. IUPAC: ethyl 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate
Property Insights of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate
The XLogP value of 5.06248 indicates that Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate?
The CAS number of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate is 477866-15-2.
What is the molecular formula of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate?
The molecular formula of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate is C22H18ClN3O2.
What is the molecular weight of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate?
The molecular weight of Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate is 391.11 g/mol.
Where can I buy Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate?
You can request a quote for Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.