N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide
TL;DR: N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide (CAS 77051-82-2) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitrobenzamide
Also Known As: N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide, Benzamide, N-methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitro-, BENZAMIDE, N-METHYL-N-(2-((((4-METHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)CYCLOPENTYL, N'-[2-(N-Methyl-2-nitrobenzamido)cyclopentyl]-N-(4-methylphenyl)carbamimidothioic acid, N'-{2-[Methyl(2-nitrobenzoyl)amino]cyclopentyl}-N-(4-methylphenyl)carbamimidothioic acid
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.88292 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 916.39716 |
Chemical Identifiers
| CAS Number | 77051-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC2CCCC2N(C)C(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide (CAS 77051-82-2), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitrobenzamide.
Chemical Property Profile of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide
Property Insights of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide
The XLogP value of 3.88292 indicates that N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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 N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide?
The CAS number of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide is 77051-82-2.
What is the molecular formula of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide?
The molecular formula of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide is C21H24N4O3S.
What is the molecular weight of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide?
The molecular weight of N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide is 412.16 g/mol.
Where can I buy N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide?
You can request a quote for N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.