3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester
TL;DR: 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester (CAS 330558-58-2) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyridin-2-yl-1,2-oxazole-5-carboxylate
Also Known As: TimTec1_008231, 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester, methyl 3-pyridin-2-yl-1,2-oxazole-5-carboxylate, methyl 3-(pyridin-2-yl)-1,2-oxazole-5-carboxylate
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 330558-58-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=NO1)C2=CC=CC=N2 |
| InChIKey | NIHRCQLPMGDVIP-UHFFFAOYSA-N |
Product Overview
3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester (CAS 330558-58-2), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: methyl 3-pyridin-2-yl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester
Property Insights of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester has 0 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-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester?
The CAS number of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester is 330558-58-2.
What is the molecular formula of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester?
The molecular formula of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester is C10H8N2O3.
What is the molecular weight of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester?
The molecular weight of 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester is 204.05 g/mol.
Where can I buy 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester?
You can request a quote for 3-Pyridin-2-ylisoxazole-5-carboxylic acid 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-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridin-2-ylisoxazole-5-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.