Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate
TL;DR: Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate (CAS 445006-46-2) is a chemical compound with molecular formula C17H17ClN2O5S and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-2-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
Also Known As: ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate, ethyl 2-[(4-chloro-2-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate, ETHYL 2-(4-CHLORO-2-NITROBENZAMIDO)-5-ISOPROPYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(4-chloro-2-nitrophenyl)carbonylamino]-5-(methylethyl)thiophene-3-car boxylate, ethyl 2-{[(4-chloro-2-nitrophenyl)carbonyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
| Molecular Formula | C17H17ClN2O5S |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 4.8621 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.05466 |
| Heavy Atoms | 26 |
| Complexity | 862.8333 |
Chemical Identifiers
| CAS Number | 445006-46-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate (CAS 445006-46-2), with molecular formula C17H17ClN2O5S and molecular weight 396.05 g/mol. IUPAC: ethyl 2-[(4-chloro-2-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate
Property Insights of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate
The XLogP value of 4.8621 indicates that Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-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-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-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-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate?
The CAS number of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate is 445006-46-2.
What is the molecular formula of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate is C17H17ClN2O5S.
What is the molecular weight of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate is 396.05 g/mol.
Where can I buy Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-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-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({4-chloro-2-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.