Ethyl 2-amino-5-ethyl-3-thenoate
TL;DR: Ethyl 2-amino-5-ethyl-3-thenoate (CAS 4507-13-5) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-ethylthiophene-3-carboxylate
Also Known As: ethyl 2-amino-5-ethylthiophene-3-carboxylate, Kajaku, Neocarzinostatin, Ethyl 2-amino-5-ethyl-3-thenoate, Ethyl 2-amino-5-ethyl-3-thiophenecarboxylate
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 4507-13-5 |
|---|---|
| SMILES | CCC1=CC(=C(S1)N)C(=O)OCC |
| InChIKey | WJZCEFNVWQJNQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-5-ethyl-3-thenoate (CAS 4507-13-5), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: ethyl 2-amino-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-5-ethyl-3-thenoate
Property Insights of Ethyl 2-amino-5-ethyl-3-thenoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-5-ethyl-3-thenoate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-5-ethyl-3-thenoate. Following Lipinski's Rule of Five, Ethyl 2-amino-5-ethyl-3-thenoate has 1 hydrogen bond donor(s) and 4 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-5-ethyl-3-thenoate?
The CAS number of Ethyl 2-amino-5-ethyl-3-thenoate is 4507-13-5.
What is the molecular formula of Ethyl 2-amino-5-ethyl-3-thenoate?
The molecular formula of Ethyl 2-amino-5-ethyl-3-thenoate is C9H13NO2S.
What is the molecular weight of Ethyl 2-amino-5-ethyl-3-thenoate?
The molecular weight of Ethyl 2-amino-5-ethyl-3-thenoate is 199.07 g/mol.
Where can I buy Ethyl 2-amino-5-ethyl-3-thenoate?
You can request a quote for Ethyl 2-amino-5-ethyl-3-thenoate 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-5-ethyl-3-thenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-5-ethyl-3-thenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.