Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-
TL;DR: Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- (CAS 145440-93-3) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
Also Known As: 3-Methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)benzoic acid, 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid, Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, 3-methyl-2-(5-methyl-1,2-oxazole-3-amido)benzoic acid, 3-Methyl-2-(5-methyl-1,2-oxazole-3-carboxamido)benzoic acid
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.24194 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 645.84283 |
Chemical Identifiers
| CAS Number | 145440-93-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)NC(=O)C2=NOC(=C2)C |
Product Overview
Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- (CAS 145440-93-3), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-
Property Insights of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-
The XLogP value of 2.24194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- has 2 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 Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-?
The CAS number of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- is 145440-93-3.
What is the molecular formula of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-?
The molecular formula of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- is C13H12N2O4.
What is the molecular weight of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-?
The molecular weight of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- is 260.08 g/mol.
Where can I buy Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-?
You can request a quote for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.