3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide
TL;DR: 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide (CAS 400074-26-2) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide
Also Known As: 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide, 3-cyano-5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide, 10J-944
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.41542 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 620.6762 |
Chemical Identifiers
| CAS Number | 400074-26-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(ON=C2C#N)C |
Product Overview
3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide (CAS 400074-26-2), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 3-cyano-5-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide
Property Insights of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide
The XLogP value of 2.41542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide. Following Lipinski's Rule of Five, 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide 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 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide?
The CAS number of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide is 400074-26-2.
What is the molecular formula of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide?
The molecular formula of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide is C13H11N3O2.
What is the molecular weight of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide?
The molecular weight of 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide is 241.09 g/mol.
Where can I buy 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide?
You can request a quote for 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-cyano-5-methyl-N-(4-methylphenyl)-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.