Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate
TL;DR: Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate (CAS 377053-98-0) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-thiophen-3-yl-1,2-oxazole-5-carboxylate
Also Known As: TQR997, ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate, ethyl 3-(thiophen-3-yl)isoxazole-5-carboxylate, Ethyl 3-(3-thienyl)-5-isoxazolecarboxylate, J3.626.855G
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 377053-98-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NO1)C2=CSC=C2 |
| InChIKey | GSAOSUXDPZIFBZ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate (CAS 377053-98-0), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: ethyl 3-thiophen-3-yl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate
Property Insights of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate 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 Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate?
The CAS number of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate is 377053-98-0.
What is the molecular formula of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate?
The molecular formula of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate is C10H9NO3S.
What is the molecular weight of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate?
The molecular weight of Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate is 223.03 g/mol.
Where can I buy Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate?
You can request a quote for Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(thiophen-3-yl)-1,2-oxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.