![Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate structure](/static/products/7244/724436-21-9.webp)
Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
TL;DR: Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate (CAS 724436-21-9) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
Also Known As: Methyl 2-(5-methylisoxazole-4-carboxamido)benzoate, Benzoicacid,2-[[ carbonyl]amino]-,methylester, methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate, Benzoic acid, 2-[[(5-methyl-4-isoxazolyl)carbonyl]amino]-, methyl ester (9CI), methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
Technical Specifications
| Molecular Formula | C13H12N2O4 |
| Molecular Weight | 260.0797 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=CC=C2C(=O)OC |
| InChIKey | HUUQQGACRVQVBQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
Property Insights of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate 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
What is the CAS number of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
The CAS number of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate is 724436-21-9.
What is the molecular formula of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate is C13H12N2O4.
What is the molecular weight of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate is 260.0797 g/mol.
Where can I buy Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.