2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid
TL;DR: 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid (CAS 613656-77-2) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoic acid
Also Known As: SDCCGMLS-0065781.P001, 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid, VU0507740-1, 2-(5-methylisoxazol-3-ylcarbamoyl)benzoic acid, 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoic acid
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 1.93352 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 603.6298 |
Chemical Identifiers
| CAS Number | 613656-77-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid (CAS 613656-77-2), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid
Property Insights of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid
The XLogP value of 1.93352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid. Following Lipinski's Rule of Five, 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid 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 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid?
The CAS number of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid is 613656-77-2.
What is the molecular formula of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid?
The molecular formula of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid is C12H10N2O4.
What is the molecular weight of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid?
The molecular weight of 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid is 246.06 g/mol.
Where can I buy 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid?
You can request a quote for 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Methylisoxazol-3-yl)carbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.