2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445001-40-1) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propyl 3-methyl-5-[(2-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Also Known As: 2-methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, 2-O-methyl 4-O-propyl 3-methyl-5-[(2-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate, 2-methyl 4-propyl 3-methyl-5-{[(2-nitrophenyl)carbonyl]amino}thiophene-2,4-dicarboxylate, methyl 3-methyl-5-[(2-nitrophenyl)carbonylamino]-4-(propoxycarbonyl)thiophene- 2-carboxylate
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.57042 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 936.0105 |
Chemical Identifiers
| CAS Number | 445001-40-1 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate (CAS 445001-40-1), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: 2-O-methyl 4-O-propyl 3-methyl-5-[(2-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 3.57042 indicates that 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate. Following Lipinski's Rule of Five, 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 8 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 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 445001-40-1.
What is the molecular formula of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is C18H18N2O7S.
What is the molecular weight of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate is 406.08 g/mol.
Where can I buy 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl 4-propyl 5-({2-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.