ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate
TL;DR: ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate (CAS 500694-79-1) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate
Also Known As: ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate, ethyl 2-amino-5-oxo-4,5-dihydrothiophene-3-carboxylate, 3-Thiophenecarboxylicacid,2-amino-4,5-dihydro-5-oxo-,ethylester, 3-Thiophenecarboxylic acid, 2-amino-4,5-dihydro-5-oxo-, ethyl ester (9CI)
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 500694-79-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=O)C1)N |
| InChIKey | GIWALPFRACKSMT-UHFFFAOYSA-N |
Product Overview
ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate (CAS 500694-79-1), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate
Property Insights of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate 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 ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate?
The CAS number of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate is 500694-79-1.
What is the molecular formula of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate?
The molecular formula of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate is C7H9NO3S.
What is the molecular weight of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate?
The molecular weight of ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate is 187.03 g/mol.
Where can I buy ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate?
You can request a quote for ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-2-oxo-3H-thiophene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.