ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate
TL;DR: ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate (CAS 545441-03-0) is a chemical compound with molecular formula C20H14ClFN2O5S and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate, ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate, ETHYL 2-(5-CHLORO-2-NITROBENZAMIDO)-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE, ethyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-4-(4-fluorophenyl)thiophene-3- carboxylate, ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate
| Molecular Formula | C20H14ClFN2O5S |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 5.5448 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0296 |
| Heavy Atoms | 30 |
| Complexity | 1130.7256 |
Chemical Identifiers
| CAS Number | 545441-03-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate (CAS 545441-03-0), with molecular formula C20H14ClFN2O5S and molecular weight 448.03 g/mol. IUPAC: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate
Property Insights of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate
The XLogP value of 5.5448 indicates that ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-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-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-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-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate?
The CAS number of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate is 545441-03-0.
What is the molecular formula of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate?
The molecular formula of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate is C20H14ClFN2O5S.
What is the molecular weight of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate?
The molecular weight of ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate is 448.03 g/mol.
Where can I buy ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate?
You can request a quote for ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-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-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.