2-Bromo-4-ethylphenyl thiophene-2-carboxylate
TL;DR: 2-Bromo-4-ethylphenyl thiophene-2-carboxylate (CAS 514823-92-8) is a chemical compound with molecular formula C13H11BrO2S and molecular weight 309.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-ethylphenyl) thiophene-2-carboxylate
Also Known As: 2-bromo-4-ethylphenyl thiophene-2-carboxylate, 2-bromo-4-ethylphenyl 2-thiophenecarboxylate, (2-bromo-4-ethylphenyl) thiophene-2-carboxylate, AN-329/41583564
| Molecular Formula | C13H11BrO2S |
|---|---|
| Molecular Weight | 309.97 g/mol |
| LogP | 4.2922 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.9663 |
| Heavy Atoms | 17 |
| Complexity | 520.22064 |
Chemical Identifiers
| CAS Number | 514823-92-8 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)OC(=O)C2=CC=CS2)Br |
Product Overview
2-Bromo-4-ethylphenyl thiophene-2-carboxylate (CAS 514823-92-8), with molecular formula C13H11BrO2S and molecular weight 309.97 g/mol. IUPAC: (2-bromo-4-ethylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate
Property Insights of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate
The XLogP value of 4.2922 indicates that 2-Bromo-4-ethylphenyl thiophene-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, 2-Bromo-4-ethylphenyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-ethylphenyl thiophene-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 2-Bromo-4-ethylphenyl thiophene-2-carboxylate?
The CAS number of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate is 514823-92-8.
What is the molecular formula of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate?
The molecular formula of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate is C13H11BrO2S.
What is the molecular weight of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate?
The molecular weight of 2-Bromo-4-ethylphenyl thiophene-2-carboxylate is 309.97 g/mol.
Where can I buy 2-Bromo-4-ethylphenyl thiophene-2-carboxylate?
You can request a quote for 2-Bromo-4-ethylphenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-ethylphenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-ethylphenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.