3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester
TL;DR: 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester (CAS 145441-12-9) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazole-3-carboxylate
Also Known As: 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester, Methyl 5-(((2,6-dimethylphenyl)amino)carbonyl)-3-isoxazolecarboxylate, methyl 5-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazole-3-carboxylate, 3-(Methoxycarbonyl)-N-(2,6-dimethylphenyl)isoxazole-5-carboxamide, BRN 5823914
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.33034 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 640.69354 |
Chemical Identifiers
| CAS Number | 145441-12-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NO2)C(=O)OC |
Product Overview
3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester (CAS 145441-12-9), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: methyl 5-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazole-3-carboxylate.
Chemical Property Profile of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester
Property Insights of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester
The XLogP value of 2.33034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester. Following Lipinski's Rule of Five, 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl 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 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester?
The CAS number of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester is 145441-12-9.
What is the molecular formula of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester?
The molecular formula of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester is C14H14N2O4.
What is the molecular weight of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester?
The molecular weight of 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester is 274.10 g/mol.
Where can I buy 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester?
You can request a quote for 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolecarboxylic acid, 5-(((2,6-dimethylphenyl)amino)carbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.