Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate
TL;DR: Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate (CAS 62403-97-8) is a chemical compound with molecular formula C14H13BrO2S and molecular weight 323.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate
Also Known As: ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate, AA-516/30012026, ethyl 5-(4-bromophenyl)-4-methyl-2-thiophenecarboxylate, (E)-3-Chloro-2-methyl-3-(2-nitro-phenyl)-propenal, 2-Thiophenecarboxylic acid, 5-(4-bromophenyl)-4-methyl-, ethyl ester
| Molecular Formula | C14H13BrO2S |
|---|---|
| Molecular Weight | 323.98 g/mol |
| LogP | 4.66272 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.98196 |
| Heavy Atoms | 18 |
| Complexity | 557.67303 |
Chemical Identifiers
| CAS Number | 62403-97-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(S1)C2=CC=C(C=C2)Br)C |
Product Overview
Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate (CAS 62403-97-8), with molecular formula C14H13BrO2S and molecular weight 323.98 g/mol. IUPAC: ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate
Property Insights of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate
The XLogP value of 4.66272 indicates that Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate?
The CAS number of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate is 62403-97-8.
What is the molecular formula of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate?
The molecular formula of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate is C14H13BrO2S.
What is the molecular weight of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate?
The molecular weight of Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate is 323.98 g/mol.
Where can I buy Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate?
You can request a quote for Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.