Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate
TL;DR: Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate (CAS 203189-47-3) is a chemical compound with molecular formula C14H13BrO2S2 and molecular weight 355.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-bromophenyl)-5-methylsulfanylthiophene-2-carboxylate
Also Known As: Thiophene der., Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate, ethyl 3-(4-bromophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate, Ethyl 3-(4-bromophenyl)-5-(methylthio)-2-thiophenecarboxylate, ethyl 3-(4-bromophenyl)-5-methylsulfanyl-thiophene-2-carboxylate
| Molecular Formula | C14H13BrO2S2 |
|---|---|
| Molecular Weight | 355.95 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.95404 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 203189-47-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)SC)C2=CC=C(C=C2)Br |
| InChIKey | QOXLJPUDQOTAJN-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate (CAS 203189-47-3), with molecular formula C14H13BrO2S2 and molecular weight 355.95 g/mol. IUPAC: ethyl 3-(4-bromophenyl)-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate
Property Insights of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate
The XLogP value of 5.3 indicates that Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate has 0 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 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate?
The CAS number of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate is 203189-47-3.
What is the molecular formula of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate?
The molecular formula of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate is C14H13BrO2S2.
What is the molecular weight of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate?
The molecular weight of Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate is 355.95 g/mol.
Where can I buy Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate?
You can request a quote for Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-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 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-bromophenyl)-5-methylthiothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.