Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate
TL;DR: Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate (CAS 54805-47-9) is a chemical compound with molecular formula C26H27NO5S and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[benzoyl-(4-ethoxy-4-oxobutyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate, 3-CARBETHOXY-2-(N-(3-CARBETHOXYPROPYL)BENZAMIDO)-4-PHENYLTHIOPHENE, ethyl 2-[benzoyl-(4-ethoxy-4-oxobutyl)amino]-4-phenylthiophe, ethyl 2-[benzoyl-(4-ethoxy-4-oxobutyl)amino]-4-phenylthiophene-3-carboxylate, 3-THIOPHENECARBOXYLIC ACID, 2-(BENZOYL(4-ETHOXY-4-OXOBUTYL)AMINO)-4-PHENYL-, ETHYL ESTER
| Molecular Formula | C26H27NO5S |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 465.16098 |
| Heavy Atoms | 33 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 54805-47-9 |
|---|---|
| SMILES | CCOC(=O)CCCN(C1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)C(=O)C3=CC=CC=C3 |
| InChIKey | ZMJKRIDUWAWZPD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate (CAS 54805-47-9), with molecular formula C26H27NO5S and molecular weight 465.16 g/mol. IUPAC: ethyl 2-[benzoyl-(4-ethoxy-4-oxobutyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate
Property Insights of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate
The XLogP value of 5.3 indicates that Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate?
The CAS number of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate is 54805-47-9.
What is the molecular formula of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate is C26H27NO5S.
What is the molecular weight of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate is 465.16 g/mol.
Where can I buy Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-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 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzoyl(4-ethoxy-4-oxobutyl)amino)-4-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.