methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
TL;DR: methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 445002-11-9) is a chemical compound with molecular formula C23H21N3O7S and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate, methyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, methyl 2-(4-methoxy-3-nitrobenzamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, methyl 2-[(4-methoxy-3-nitrophenyl)carbonylamino]-4-methyl-5-[N-(2-methylpheny l)carbamoyl]thiophene-3-carboxylate, methyl 2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C23H21N3O7S |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 4.57294 |
| Topological Polar Surface Area | 136.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.11002 |
| Heavy Atoms | 34 |
| Complexity | 1299.711 |
Chemical Identifiers
| CAS Number | 445002-11-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC)C |
Product Overview
methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 445002-11-9), with molecular formula C23H21N3O7S and molecular weight 483.11 g/mol. IUPAC: methyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
Property Insights of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
The XLogP value of 4.57294 indicates that methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate has 2 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 methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
The CAS number of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is 445002-11-9.
What is the molecular formula of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular formula of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is C23H21N3O7S.
What is the molecular weight of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular weight of methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate is 483.11 g/mol.
Where can I buy methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
You can request a quote for methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate 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-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3-nitro-4-methoxybenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.