Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate
TL;DR: Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate (CAS 477490-71-4) is a chemical compound with molecular formula C14H11BrN2O5S and molecular weight 397.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-bromobenzoyl)amino]-5-nitrothiophene-3-carboxylate
Also Known As: ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate, AB00685208-01, ethyl 2-[(4-bromobenzoyl)amino]-5-nitrothiophene-3-carboxylate, F0806-0095
| Molecular Formula | C14H11BrN2O5S |
|---|---|
| Molecular Weight | 397.96 g/mol |
| LogP | 3.8478 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.9572 |
| Heavy Atoms | 23 |
| Complexity | 757.02814 |
Chemical Identifiers
| CAS Number | 477490-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Br |
Product Overview
Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate (CAS 477490-71-4), with molecular formula C14H11BrN2O5S and molecular weight 397.96 g/mol. IUPAC: ethyl 2-[(4-bromobenzoyl)amino]-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate
Property Insights of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate
The XLogP value of 3.8478 indicates that Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate?
The CAS number of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate is 477490-71-4.
What is the molecular formula of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate is C14H11BrN2O5S.
What is the molecular weight of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate is 397.96 g/mol.
Where can I buy Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-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-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-bromobenzamido)-5-nitrothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.