Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate
TL;DR: Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate (CAS 445258-47-9) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate, ethyl 2-(4-nitrobenzamido)-4-(m-tolyl)thiophene-3-carboxylate, ethyl 4-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate, ethyl 4-(3-methylphenyl)-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxyla te, ethyl 4-(3-methylphenyl)-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 5.06072 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1072.9304 |
Chemical Identifiers
| CAS Number | 445258-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC(=C2)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate (CAS 445258-47-9), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: ethyl 4-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate
Property Insights of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate
The XLogP value of 5.06072 indicates that Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate 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)-4-(3-methylphenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate has 1 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-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate?
The CAS number of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate is 445258-47-9.
What is the molecular formula of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate is C21H18N2O5S.
What is the molecular weight of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate is 410.09 g/mol.
Where can I buy Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-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-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({4-nitrobenzoyl}amino)-4-(3-methylphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.