![methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate structure](/static/products/4450/445008-05-9.webp)
methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
TL;DR: methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate (CAS 445008-05-9) is a chemical compound with molecular formula C21H16FN3O7S and molecular weight 473.07 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-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate, methyl 2-({3,5-bisnitro-4-methylbenzoyl}amino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrophenyl)carbonylamin o]thiophene-3-carboxylate, methyl 4-(4-fluorophenyl)-5-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H16FN3O7S |
|---|---|
| Molecular Weight | 473.07 g/mol |
| LogP | 5.02634 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.0693 |
| Heavy Atoms | 33 |
| Complexity | 1266.9274 |
Chemical Identifiers
| CAS Number | 445008-05-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)OC)[N+](=O)[O-] |
Product Overview
methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate (CAS 445008-05-9), with molecular formula C21H16FN3O7S and molecular weight 473.07 g/mol. IUPAC: methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
Property Insights of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
The XLogP value of 5.02634 indicates that methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate?
The CAS number of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate is 445008-05-9.
What is the molecular formula of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate?
The molecular formula of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate is C21H16FN3O7S.
What is the molecular weight of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate?
The molecular weight of methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate is 473.07 g/mol.
Where can I buy methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate?
You can request a quote for methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)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 methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-fluorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.