Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate
TL;DR: Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate (CAS 331275-46-8) is a chemical compound with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate, BAS 00379909, AH-262/08804008, ethyl 5-acetyl-2-(acetylamino)-4-(4-nitrophenyl)thiophene-3-carboxylate, ETHYL 5-ACETYL-2-ACETAMIDO-4-(4-NITROPHENYL)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C17H16N2O6S |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 3.661 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0729 |
| Heavy Atoms | 26 |
| Complexity | 885.4032 |
Chemical Identifiers
| CAS Number | 331275-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)NC(=O)C |
Product Overview
Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate (CAS 331275-46-8), with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol. IUPAC: ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate
Property Insights of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate
The XLogP value of 3.661 indicates that Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate?
The CAS number of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate is 331275-46-8.
What is the molecular formula of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate?
The molecular formula of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate is C17H16N2O6S.
What is the molecular weight of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate?
The molecular weight of Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate is 376.07 g/mol.
Where can I buy Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate?
You can request a quote for Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)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 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-5-acetyl-4-(4-nitrophenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.