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Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate
TL;DR: Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate (CAS 445029-65-2) is a chemical compound with molecular formula C22H20FNO3S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate, ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]-3-thiophenecarboxylate, ETHYL 4-(2,5-DIMETHYLPHENYL)-2-(4-FLUOROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)carbonylamino]thiophene-3-carb oxylate, ethyl 4-(2,5-dimethylphenyl)-2-{[(4-fluorophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H20FNO3S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 5.60004 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1148 |
| Heavy Atoms | 28 |
| Complexity | 1024.7612 |
Chemical Identifiers
| CAS Number | 445029-65-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=C(C=CC(=C2)C)C)NC(=O)C3=CC=C(C=C3)F |
Product Overview
Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate (CAS 445029-65-2), with molecular formula C22H20FNO3S and molecular weight 397.11 g/mol. IUPAC: ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate
Property Insights of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate
The XLogP value of 5.60004 indicates that Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate?
The CAS number of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate is 445029-65-2.
What is the molecular formula of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate?
The molecular formula of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate is C22H20FNO3S.
What is the molecular weight of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate?
The molecular weight of Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate is 397.11 g/mol.
Where can I buy Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate?
You can request a quote for Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]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 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2,5-dimethylphenyl)-2-[(4-fluorobenzoyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.