Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester (CAS 145440-92-2) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
Also Known As: Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester, Ethyl 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)benzoate, Ethyl 3-methyl-2-(5-methyl-1,2-oxazole-3-carboxamido)benzoate, ETHYL 3-METHYL-2-(5-METHYL-1,2-OXAZOLE-3-AMIDO)BENZOATE, ethyl 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 2.72044 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 676.0632 |
Chemical Identifiers
| CAS Number | 145440-92-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC(=C1NC(=O)C2=NOC(=C2)C)C |
Product Overview
Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester (CAS 145440-92-2), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: ethyl 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester
The XLogP value of 2.72044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester 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 Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester is 145440-92-2.
What is the molecular formula of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester is C15H16N2O4.
What is the molecular weight of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester is 288.11 g/mol.
Where can I buy Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester 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)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.