Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-
TL;DR: Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- (CAS 77051-89-9) is a chemical compound with molecular formula C22H26N4O3S and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide
Also Known As: Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-, N-(2-((((2,5-Dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitrobenzamide, N-(2,5-Dimethylphenyl)-N'-[2-(N-methyl-4-nitrobenzamido)cyclopentyl]carbamimidothioic acid, N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide, N-(2,5-Dimethylphenyl)-N'-{2-[methyl(4-nitrobenzoyl)amino]cyclopentyl}carbamimidothioic acid
| Molecular Formula | C22H26N4O3S |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.19134 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.17258 |
| Heavy Atoms | 30 |
| Complexity | 961.35504 |
Chemical Identifiers
| CAS Number | 77051-89-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NC2CCCC2N(C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- (CAS 77051-89-9), with molecular formula C22H26N4O3S and molecular weight 426.17 g/mol. IUPAC: N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-
Property Insights of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-
The XLogP value of 4.19134 indicates that Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- 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 Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-. Following Lipinski's Rule of Five, Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- 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 Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-?
The CAS number of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- is 77051-89-9.
What is the molecular formula of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-?
The molecular formula of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- is C22H26N4O3S.
What is the molecular weight of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-?
The molecular weight of Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- is 426.17 g/mol.
Where can I buy Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-?
You can request a quote for Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(2-((((2,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.