2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide
TL;DR: 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide (CAS 478043-92-4) is a chemical compound with molecular formula C11H7ClN4O2 and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)pyridine-3-carboxamide
Also Known As: 2-CHLORO-N-(4-CYANO-3-METHYLISOXAZOL-5-YL)NICOTINAMIDE, 4P-310S, 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)pyridine-3-carboxamide, 2-chloro-N-(4-cyano-3-methyl-5-isoxazolyl)nicotinamide, (2-chloro(3-pyridyl))-N-(4-cyano-3-methylisoxazol-5-yl)carboxamide
| Molecular Formula | C11H7ClN4O2 |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.1554 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.02576 |
| Heavy Atoms | 18 |
| Complexity | 644.73303 |
Chemical Identifiers
| CAS Number | 478043-92-4 |
|---|---|
| SMILES | CC1=NOC(=C1C#N)NC(=O)C2=C(N=CC=C2)Cl |
Product Overview
2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide (CAS 478043-92-4), with molecular formula C11H7ClN4O2 and molecular weight 262.03 g/mol. IUPAC: 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)pyridine-3-carboxamide.
Chemical Property Profile of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide
Property Insights of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide
The XLogP value of 2.1554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide. Following Lipinski's Rule of Five, 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide has 1 hydrogen bond donor(s) and 5 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-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide?
The CAS number of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide is 478043-92-4.
What is the molecular formula of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide?
The molecular formula of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide is C11H7ClN4O2.
What is the molecular weight of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide?
The molecular weight of 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide is 262.03 g/mol.
Where can I buy 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide?
You can request a quote for 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(4-cyano-3-methylisoxazol-5-YL)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.