3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester
TL;DR: 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester (CAS 377059-29-5) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-methylphenyl)-1,2-oxazole-5-carboxylate
Also Known As: Ethyl 3-(o-tolyl)isoxazole-5-carboxylate, 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester, ethyl 3-(2-methylphenyl)-1,2-oxazole-5-carboxylate, 2371AJ, Ethyl3-(o-tolyl)isoxazole-5-carboxylate
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 377059-29-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NO1)C2=CC=CC=C2C |
| InChIKey | QLSFKTQHGBRXSI-UHFFFAOYSA-N |
Product Overview
3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester (CAS 377059-29-5), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 3-(2-methylphenyl)-1,2-oxazole-5-carboxylate.
Chemical Property Profile of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester
Property Insights of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester has 0 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 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester?
The CAS number of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester is 377059-29-5.
What is the molecular formula of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester?
The molecular formula of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester is C13H13NO3.
What is the molecular weight of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester?
The molecular weight of 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester is 231.09 g/mol.
Where can I buy 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester?
You can request a quote for 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-o-Tolyl-isoxazole-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.