![ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate structure](/static/products/5454/545440-91-3.webp)
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
TL;DR: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate (CAS 545440-91-3) is a chemical compound with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate, ethyl 2-({2-chloro-5-nitrobenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate, ethyl 2-[(2-chloro-5-nitrophenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3- carboxylate, ethyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
| Molecular Formula | C21H17ClN2O5S |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 5.71412 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.05466 |
| Heavy Atoms | 30 |
| Complexity | 1124.9254 |
Chemical Identifiers
| CAS Number | 545440-91-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate (CAS 545440-91-3), with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol. IUPAC: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Property Insights of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
The XLogP value of 5.71412 indicates that ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-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-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate 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-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The CAS number of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate is 545440-91-3.
What is the molecular formula of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The molecular formula of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate is C21H17ClN2O5S.
What is the molecular weight of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The molecular weight of ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate is 444.05 g/mol.
Where can I buy ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
You can request a quote for ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)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-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.