2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile
TL;DR: 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile (CAS 338794-67-5) is a chemical compound with molecular formula C16H15Cl2N3 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
Also Known As: 2-amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile, 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile, 6H-509S, 2-amino-4-(2,3-dichlorophenyl)-6-isobutyl-pyridine-3-carbonitrile
| Molecular Formula | C16H15Cl2N3 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 4.70778 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0643 |
| Heavy Atoms | 21 |
| Complexity | 718.1925 |
Chemical Identifiers
| CAS Number | 338794-67-5 |
|---|---|
| SMILES | CC(C)CC1=CC(=C(C(=N1)N)C#N)C2=C(C(=CC=C2)Cl)Cl |
Product Overview
2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile (CAS 338794-67-5), with molecular formula C16H15Cl2N3 and molecular weight 319.06 g/mol. IUPAC: 2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile
Property Insights of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile
The XLogP value of 4.70778 indicates that 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile has 1 hydrogen bond donor(s) and 3 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 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile?
The CAS number of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile is 338794-67-5.
What is the molecular formula of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile?
The molecular formula of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile is C16H15Cl2N3.
What is the molecular weight of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile?
The molecular weight of 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile is 319.06 g/mol.
Where can I buy 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile?
You can request a quote for 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(2,3-dichlorophenyl)-6-isobutylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.