Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate
TL;DR: Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate (CAS 545339-40-0) is a chemical compound with molecular formula C18H14F5NO5S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
Also Known As: Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]-2,4-thiophenedicarboxylate, diethyl 3-methyl-5-{[(pentafluorophenyl)carbonyl]amino}thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-[(2,3,4,5,6-pentafluorophenyl)carbonylamin o]thiophene-3-carboxylate
| Molecular Formula | C18H14F5NO5S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.35772 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.05127 |
| Heavy Atoms | 30 |
| Complexity | 1007.7 |
Chemical Identifiers
| CAS Number | 545339-40-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate (CAS 545339-40-0), with molecular formula C18H14F5NO5S and molecular weight 451.05 g/mol. IUPAC: diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate
Property Insights of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate
The XLogP value of 4.35772 indicates that Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate 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 Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate?
The CAS number of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate is 545339-40-0.
What is the molecular formula of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate is C18H14F5NO5S.
What is the molecular weight of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate is 451.05 g/mol.
Where can I buy Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methyl-5-(perfluorobenzamido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.