1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile
TL;DR: 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile (CAS 168697-58-3) is a chemical compound with molecular formula C11H13ClN2O and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 1-butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile, 1-butyl-6-chloro-4-methyl-2-oxo-pyridine-3-carbonitrile, 1-butyl-6-chloro-1,2-dihydro-4-methyl-2-oxo-3-pyridinecarbonitrile
| Molecular Formula | C11H13ClN2O |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 2.4819 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07164 |
| Heavy Atoms | 15 |
| Complexity | 456.88132 |
Chemical Identifiers
| CAS Number | 168697-58-3 |
|---|---|
| SMILES | CCCCN1C(=CC(=C(C1=O)C#N)C)Cl |
Product Overview
1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile (CAS 168697-58-3), with molecular formula C11H13ClN2O and molecular weight 224.07 g/mol. IUPAC: 1-butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile
Property Insights of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile
The XLogP value of 2.4819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 2 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 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile?
The CAS number of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile is 168697-58-3.
What is the molecular formula of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile?
The molecular formula of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile is C11H13ClN2O.
What is the molecular weight of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile?
The molecular weight of 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile is 224.07 g/mol.
Where can I buy 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile?
You can request a quote for 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-6-chloro-4-methyl-2-oxopyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.