Ethyl 2-amino-4,5-dimethyl3-thenoate
TL;DR: Ethyl 2-amino-4,5-dimethyl3-thenoate (CAS 4815-24-1) 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-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate, Ethyl 2-amino-4,5-dimethyl3-thenoate, NCIOpen2_001273, IFLab1_003294, 3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 4815-24-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N |
| InChIKey | JYSDXODDWAQWJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-4,5-dimethyl3-thenoate (CAS 4815-24-1), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4,5-dimethyl3-thenoate
Property Insights of Ethyl 2-amino-4,5-dimethyl3-thenoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-4,5-dimethyl3-thenoate. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4,5-dimethyl3-thenoate. Following Lipinski's Rule of Five, Ethyl 2-amino-4,5-dimethyl3-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-4,5-dimethyl3-thenoate?
The CAS number of Ethyl 2-amino-4,5-dimethyl3-thenoate is 4815-24-1.
What is the molecular formula of Ethyl 2-amino-4,5-dimethyl3-thenoate?
The molecular formula of Ethyl 2-amino-4,5-dimethyl3-thenoate is C9H13NO2S.
What is the molecular weight of Ethyl 2-amino-4,5-dimethyl3-thenoate?
The molecular weight of Ethyl 2-amino-4,5-dimethyl3-thenoate is 199.07 g/mol.
Where can I buy Ethyl 2-amino-4,5-dimethyl3-thenoate?
You can request a quote for Ethyl 2-amino-4,5-dimethyl3-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-4,5-dimethyl3-thenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4,5-dimethyl3-thenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.