Methyl 3-(2-thienyl)-5-isoxazolecarboxylate
TL;DR: Methyl 3-(2-thienyl)-5-isoxazolecarboxylate (CAS 22353-87-3) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-thiophen-2-yl-1,2-oxazole-5-carboxylate
Also Known As: Methyl 3-(2-thienyl)-5-isoxazolecarboxylate, J1.392.753G, methyl 3-(thiophen-2-yl)isoxazole-5-carboxylate, methyl 3-thiophen-2-yl-1,2-oxazole-5-carboxylate, 3-(2-Thienyl)-5-isoxazolecarboxylic acid methyl ester
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 22353-87-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=NO1)C2=CC=CS2 |
| InChIKey | WPEYZYMKIDHBHZ-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2-thienyl)-5-isoxazolecarboxylate (CAS 22353-87-3), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: methyl 3-thiophen-2-yl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate
Property Insights of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-thienyl)-5-isoxazolecarboxylate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-thienyl)-5-isoxazolecarboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-thienyl)-5-isoxazolecarboxylate 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 Methyl 3-(2-thienyl)-5-isoxazolecarboxylate?
The CAS number of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate is 22353-87-3.
What is the molecular formula of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate?
The molecular formula of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate is C9H7NO3S.
What is the molecular weight of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate?
The molecular weight of Methyl 3-(2-thienyl)-5-isoxazolecarboxylate is 209.01 g/mol.
Where can I buy Methyl 3-(2-thienyl)-5-isoxazolecarboxylate?
You can request a quote for Methyl 3-(2-thienyl)-5-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-thienyl)-5-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-thienyl)-5-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.