Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate (CAS 4815-38-7) is a chemical compound with molecular formula C14H15NO2S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
Also Known As: Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate, Ethyl 4-acetylbenzoate, ZERO/001328, (2-Chlorophenyl)diphenylmethyl Chloride, BAS 00899395
| Molecular Formula | C14H15NO2S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.08234 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 4815-38-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)N |
| InChIKey | FXPVOLWQNNGFHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate (CAS 4815-38-7), with molecular formula C14H15NO2S and molecular weight 261.08 g/mol. IUPAC: ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
The XLogP value of 4.1 indicates that Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate 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-methyl-5-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate is 4815-38-7.
What is the molecular formula of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate is C14H15NO2S.
What is the molecular weight of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate is 261.08 g/mol.
Where can I buy Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate 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-methyl-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.