methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
TL;DR: methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate (CAS 445006-49-5) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-4-(4-methylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate, methyl 5-methyl-4-(4-methylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate, methyl 5-methyl-2-(3-nitrobenzamido)-4-(p-tolyl)thiophene-3-carboxylate, METHYL 5-METHYL-4-(4-METHYLPHENYL)-2-[(3-NITROBENZOYL)AMINO]-3-THIOPHENECARBOXYLATE, methyl 5-methyl-4-(4-methylphenyl)-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 4.97904 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1102.7593 |
Chemical Identifiers
| CAS Number | 445006-49-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate (CAS 445006-49-5), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: methyl 5-methyl-4-(4-methylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
Property Insights of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
The XLogP value of 4.97904 indicates that methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-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 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-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 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate?
The CAS number of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate is 445006-49-5.
What is the molecular formula of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate?
The molecular formula of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate is C21H18N2O5S.
What is the molecular weight of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate?
The molecular weight of methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate is 410.09 g/mol.
Where can I buy methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate?
You can request a quote for methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)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 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3-nitrobenzoyl}amino)-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.