Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate
TL;DR: Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate (CAS 313230-97-6) is a chemical compound with molecular formula C20H19NO2S and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate
Also Known As: BAS 00379869, ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate, J3.432.868D, 2-Amino-4-benzyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester, 2-Amino-4-benzyl-5-phenylthiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C20H19NO2S |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.11365 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 313230-97-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1CC2=CC=CC=C2)C3=CC=CC=C3)N |
| InChIKey | FFZYOECMVVHASX-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate (CAS 313230-97-6), with molecular formula C20H19NO2S and molecular weight 337.11 g/mol. IUPAC: ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate
Property Insights of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate
The XLogP value of 5.6 indicates that Ethyl 2-amino-4-benzyl-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-benzyl-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate?
The CAS number of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate is 313230-97-6.
What is the molecular formula of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate is C20H19NO2S.
What is the molecular weight of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate is 337.11 g/mol.
Where can I buy Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-amino-4-benzyl-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-benzyl-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-benzyl-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.