Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
TL;DR: Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate (CAS 543714-90-5) is a chemical compound with molecular formula C20H23NO5S and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
Also Known As: ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate, ethyl 5-acetyl-4-methyl-2-[(2-phenoxybutanoyl)amino]-3-thiophenecarboxylate, ethyl 5-acetyl-4-methyl-2-[(2-phenoxybutanoyl)amino]thiophene-3-carboxylate
| Molecular Formula | C20H23NO5S |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.23192 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.1297 |
| Heavy Atoms | 27 |
| Complexity | 828.39764 |
Chemical Identifiers
| CAS Number | 543714-90-5 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC)OC2=CC=CC=C2 |
Product Overview
Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate (CAS 543714-90-5), with molecular formula C20H23NO5S and molecular weight 389.13 g/mol. IUPAC: ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
Property Insights of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
The XLogP value of 4.23192 indicates that Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-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 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate?
The CAS number of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate is 543714-90-5.
What is the molecular formula of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate?
The molecular formula of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate is C20H23NO5S.
What is the molecular weight of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate?
The molecular weight of Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate is 389.13 g/mol.
Where can I buy Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate?
You can request a quote for Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-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 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetyl-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.