![Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate structure](/static/products/7244/724430-95-9.webp)
Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
TL;DR: Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate (CAS 724430-95-9) 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.
methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
Also Known As: Methyl 3-(5-methylisoxazole-4-carboxamido)benzoate, methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate, Benzoicacid,3-[[ carbonyl]amino]-,methylester, methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate, AP-501/42541497
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.02192 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 618.6107 |
Chemical Identifiers
| CAS Number | 724430-95-9 |
|---|---|
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=CC(=C2)C(=O)OC |
Product Overview
Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate (CAS 724430-95-9), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: methyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
Property Insights of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate
The XLogP value of 2.02192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 3-{[(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
Frequently Asked Questions
What is the CAS number of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
The CAS number of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate is 724430-95-9.
What is the molecular formula of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
The molecular formula of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate is C13H12N2O4.
What is the molecular weight of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
The molecular weight of Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate is 260.08 g/mol.
Where can I buy Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
You can request a quote for Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(5-methyl-4-isoxazolyl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.