![5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile structure](/static/products/3069/306980-05-2.webp)
5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile
TL;DR: 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile (CAS 306980-05-2) is a chemical compound with molecular formula C16H14ClN3O and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[(4-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
Also Known As: 5-acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile, 12K-332S, 5-Acetyl-2-((4-chlorobenzyl)amino)-6-methylnicotinonitrile, 5-acetyl-2-{[(4-chlorophenyl)methyl]amino}-6-methylpyridine-3-carbonitrile, 5-acetyl-2-[(4-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
| Molecular Formula | C16H14ClN3O |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.7298 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08255 |
| Heavy Atoms | 21 |
| Complexity | 717.53735 |
Chemical Identifiers
| CAS Number | 306980-05-2 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)NCC2=CC=C(C=C2)Cl)C#N)C(=O)C |
Product Overview
5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile (CAS 306980-05-2), with molecular formula C16H14ClN3O and molecular weight 299.08 g/mol. IUPAC: 5-acetyl-2-[(4-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile
Property Insights of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile
The XLogP value of 3.7298 indicates that 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile. Following Lipinski's Rule of Five, 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile 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-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile?
The CAS number of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile is 306980-05-2.
What is the molecular formula of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile?
The molecular formula of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile is C16H14ClN3O.
What is the molecular weight of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile?
The molecular weight of 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile is 299.08 g/mol.
Where can I buy 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile?
You can request a quote for 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-[(4-chlorobenzyl)amino]-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.