Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate
TL;DR: Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate (CAS 16754-82-8) 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 2-amino-4-hydroxythiophene-3-carboxylate
Also Known As: ethyl 2-amino-4-hydroxythiophene-3-carboxylate, Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate, 3-Thiophenecarboxylic acid, ethyl ester, 2-amino-4-hydroxy-3-thiophenecarboxylic acid ethyl ester, 3-Thiophenecarboxylic acid, 2-amino-4-hydroxy-, ethyl ester
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 16754-82-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1O)N |
| InChIKey | MWNFUBNNWKPURP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate (CAS 16754-82-8), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: ethyl 2-amino-4-hydroxythiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate
Property Insights of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate has 2 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 2-amino-4-hydroxy-3-thiophenecarboxylate?
The CAS number of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate is 16754-82-8.
What is the molecular formula of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate is C7H9NO3S.
What is the molecular weight of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate is 187.03 g/mol.
Where can I buy Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-hydroxy-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.