isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate (CAS 445002-03-9) is a chemical compound with molecular formula C23H21FN2O6S and molecular weight 472.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate, propan-2-yl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitrobenzoyl)amino]-5-methylthiophene-3-carboxylate, ISOPROPYL 4-(4-FLUOROPHENYL)-2-(4-METHOXY-3-NITROBENZAMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE, methylethyl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitrophenyl)carbonylamino]-5-me thylthiophene-3-carboxylate, propan-2-yl 4-(4-fluorophenyl)-2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C23H21FN2O6S |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 5.59692 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.11044 |
| Heavy Atoms | 33 |
| Complexity | 1220.4347 |
Chemical Identifiers
| CAS Number | 445002-03-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=C(C=C3)F |
Product Overview
isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate (CAS 445002-03-9), with molecular formula C23H21FN2O6S and molecular weight 472.11 g/mol. IUPAC: propan-2-yl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitrobenzoyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate
The XLogP value of 5.59692 indicates that isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate is 445002-03-9.
What is the molecular formula of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate is C23H21FN2O6S.
What is the molecular weight of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate is 472.11 g/mol.
Where can I buy isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-(4-fluorophenyl)-2-({3-nitro-4-methoxybenzoyl}amino)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.