N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide
TL;DR: N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide (CAS 478043-90-2) 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.
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-4-methylbenzamide
Also Known As: N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-4-methylbenzamide, N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide, N-(4-cyano-3-methyl-isoxazol-5-yl)-4-methyl-benzamide
| 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 | 478043-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C(=NO2)C)C#N |
Product Overview
N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide (CAS 478043-90-2), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-4-methylbenzamide.
Chemical Property Profile of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide
Property Insights of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide
The XLogP value of 2.41542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide. Following Lipinski's Rule of Five, N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide 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 N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide?
The CAS number of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide is 478043-90-2.
What is the molecular formula of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide?
The molecular formula of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide is C13H11N3O2.
What is the molecular weight of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide?
The molecular weight of N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide is 241.09 g/mol.
Where can I buy N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide?
You can request a quote for N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyano-3-methyl-5-isoxazolyl)-4-methylbenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.