RefChem:322159
TL;DR: RefChem:322159 (CAS 77051-90-2) 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-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide
Also Known As: N-(2-((((3,5-Dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitrobenzamide, Benzamide, N-(2-((((3,5-dimethylphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-, N-[2-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide, N'-(3,5-Dimethylphenyl)-N-[2-(N-methyl-4-nitrobenzamido)cyclopentyl]carbamimidothioic acid, Benzamide,N-[2-[[[(3,5-dimethylphenyl)amino]thioxomethyl]amino]cyclopentyl]-N-methyl-4-nitro-
| 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 | 941.10504 |
Chemical Identifiers
| CAS Number | 77051-90-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=S)NC2CCCC2N(C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
RefChem:322159 (CAS 77051-90-2), with molecular formula C22H26N4O3S and molecular weight 426.17 g/mol. IUPAC: N-[2-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide.
Chemical Property Profile of RefChem:322159
Property Insights of RefChem:322159
The XLogP value of 4.19134 indicates that RefChem:322159 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 RefChem:322159. Following Lipinski's Rule of Five, RefChem:322159 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 RefChem:322159?
The CAS number of RefChem:322159 is 77051-90-2.
What is the molecular formula of RefChem:322159?
The molecular formula of RefChem:322159 is C22H26N4O3S.
What is the molecular weight of RefChem:322159?
The molecular weight of RefChem:322159 is 426.17 g/mol.
Where can I buy RefChem:322159?
You can request a quote for RefChem:322159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322159?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.