methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate (CAS 445008-24-2) is a chemical compound with molecular formula C22H19N3O7S and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate, methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate, METHYL 4-(3,4-DIMETHYLPHENYL)-2-(3,5-DINITROBENZAMIDO)-5-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]-5-methylthi ophene-3-carboxylate, methyl 4-(3,4-dimethylphenyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
| Molecular Formula | C22H19N3O7S |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 5.19566 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.09436 |
| Heavy Atoms | 33 |
| Complexity | 1281.3086 |
Chemical Identifiers
| CAS Number | 445008-24-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C)C |
Product Overview
methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate (CAS 445008-24-2), with molecular formula C22H19N3O7S and molecular weight 469.09 g/mol. IUPAC: methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 5.19566 indicates that methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-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 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-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 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate is 445008-24-2.
What is the molecular formula of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate is C22H19N3O7S.
What is the molecular weight of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate is 469.09 g/mol.
Where can I buy methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-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 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3,5-bisnitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.