RefChem:322525
TL;DR: RefChem:322525 (CAS 77051-88-8) 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]-4-nitrobenzamide
Also Known As: N-Methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-4-nitrobenzamide, Benzamide, N-methyl-N-(2-((((4-methylphenyl)amino)thioxomethyl)amino)cyclopentyl)-4-nitro-, N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-4-nitrobenzamide, N'-[2-(N-Methyl-4-nitrobenzamido)cyclopentyl]-N-(4-methylphenyl)carbamimidothioic acid, N'-{2-[Methyl(4-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 | 899.14716 |
Chemical Identifiers
| CAS Number | 77051-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC2CCCC2N(C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
RefChem:322525 (CAS 77051-88-8), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-4-nitrobenzamide.
Chemical Property Profile of RefChem:322525
Property Insights of RefChem:322525
The XLogP value of 3.88292 indicates that RefChem:322525 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:322525. Following Lipinski's Rule of Five, RefChem:322525 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:322525?
The CAS number of RefChem:322525 is 77051-88-8.
What is the molecular formula of RefChem:322525?
The molecular formula of RefChem:322525 is C21H24N4O3S.
What is the molecular weight of RefChem:322525?
The molecular weight of RefChem:322525 is 412.16 g/mol.
Where can I buy RefChem:322525?
You can request a quote for RefChem:322525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322525?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.