methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate
TL;DR: methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate (CAS 445002-12-0) is a chemical compound with molecular formula C20H15FN2O5S and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate, methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate, METHYL 4-(4-FLUOROPHENYL)-5-METHYL-2-(4-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, METHYL 4-(4-FLUOROPHENYL)-5-METHYL-2-[(4-NITROBENZOYL)AMINO]-3-THIOPHENECARBOXYLATE, methyl 4-(4-fluorophenyl)-5-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C20H15FN2O5S |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 4.80972 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.06857 |
| Heavy Atoms | 29 |
| Complexity | 1091.3094 |
Chemical Identifiers
| CAS Number | 445002-12-0 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)F |
Product Overview
methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate (CAS 445002-12-0), with molecular formula C20H15FN2O5S and molecular weight 414.07 g/mol. IUPAC: methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate
Property Insights of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate
The XLogP value of 4.80972 indicates that methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-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 methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate 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 methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate is 445002-12-0.
What is the molecular formula of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate is C20H15FN2O5S.
What is the molecular weight of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate is 414.07 g/mol.
Where can I buy methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-fluorophenyl)-2-({4-nitrobenzoyl}amino)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.