![Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate structure](/static/products/4450/445004-44-4.webp)
Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate (CAS 445004-44-4) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
Also Known As: ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate, ethyl 2-({4-nitrobenzoyl}amino)-5-isopropylthiophene-3-carboxylate, ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate, ethyl 5-(methylethyl)-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.2087 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 795.86957 |
Chemical Identifiers
| CAS Number | 445004-44-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate (CAS 445004-44-4), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
The XLogP value of 4.2087 indicates that Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-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-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-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-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate is 445004-44-4.
What is the molecular formula of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate is C17H18N2O5S.
What is the molecular weight of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate is 362.09 g/mol.
Where can I buy Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-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-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-nitrobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.