methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
TL;DR: methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 445001-23-0) is a chemical compound with molecular formula C23H21N3O6S and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate, methyl 4-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, METHYL 4-METHYL-2-[(2-METHYL-3-NITROBENZOYL)AMINO]-5-(2-TOLUIDINOCARBONYL)-3-THIOPHENECARBOXYLATE, methyl 4-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C23H21N3O6S |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 4.87276 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1151 |
| Heavy Atoms | 33 |
| Complexity | 1281.1963 |
Chemical Identifiers
| CAS Number | 445001-23-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C(=O)OC)C |
Product Overview
methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 445001-23-0), with molecular formula C23H21N3O6S and molecular weight 467.12 g/mol. IUPAC: methyl 4-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
Property Insights of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
The XLogP value of 4.87276 indicates that methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The CAS number of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 445001-23-0.
What is the molecular formula of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular formula of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is C23H21N3O6S.
What is the molecular weight of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular weight of methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 467.12 g/mol.
Where can I buy methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
You can request a quote for methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)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-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.