Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate
TL;DR: Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate (CAS 392290-08-3) is a chemical compound with molecular formula C20H15BrFNO3S and molecular weight 446.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-bromo-2-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
Also Known As: ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate, F0412-0173, ethyl 3-[(4-bromo-2-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate, Ethyl 3-[(4-bromo-2-fluoro-benzoyl)amino]-5-phenyl-thiophene-2-carboxylate
| Molecular Formula | C20H15BrFNO3S |
|---|---|
| Molecular Weight | 446.99 g/mol |
| LogP | 5.7457 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.99402 |
| Heavy Atoms | 27 |
| Complexity | 988.14685 |
Chemical Identifiers
| CAS Number | 392290-08-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Br)F |
Product Overview
Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate (CAS 392290-08-3), with molecular formula C20H15BrFNO3S and molecular weight 446.99 g/mol. IUPAC: ethyl 3-[(4-bromo-2-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate
Property Insights of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate
The XLogP value of 5.7457 indicates that Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-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 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate?
The CAS number of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate is 392290-08-3.
What is the molecular formula of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate?
The molecular formula of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate is C20H15BrFNO3S.
What is the molecular weight of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate?
The molecular weight of Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate is 446.99 g/mol.
Where can I buy Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate?
You can request a quote for Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-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-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-bromo-2-fluorobenzamido)-5-phenylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.