![Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate structure](/static/products/5454/545441-36-9.webp)
Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
TL;DR: Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate (CAS 545441-36-9) is a chemical compound with molecular formula C21H18BrNO4S and molecular weight 459.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4-(4-bromophenyl)-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate, ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate, ethyl 4-(4-bromophenyl)-2-(2-phenoxyacetylamino)thiophene-3-carboxylate, ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]thiophene-3-carboxylate, ETHYL 4-(4-BROMOPHENYL)-2-(2-PHENOXYACETAMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H18BrNO4S |
|---|---|
| Molecular Weight | 459.01 g/mol |
| LogP | 5.3718 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.01398 |
| Heavy Atoms | 28 |
| Complexity | 954.29675 |
Chemical Identifiers
| CAS Number | 545441-36-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)COC3=CC=CC=C3 |
Product Overview
Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate (CAS 545441-36-9), with molecular formula C21H18BrNO4S and molecular weight 459.01 g/mol. IUPAC: ethyl 4-(4-bromophenyl)-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
Property Insights of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
The XLogP value of 5.3718 indicates that Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate?
The CAS number of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate is 545441-36-9.
What is the molecular formula of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate?
The molecular formula of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate is C21H18BrNO4S.
What is the molecular weight of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate?
The molecular weight of Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate is 459.01 g/mol.
Where can I buy Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate?
You can request a quote for Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-bromophenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.