RefChem:322157
TL;DR: RefChem:322157 (CAS 77051-91-3) is a chemical compound with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-methoxyphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide
Also Known As: Benzamide, N-(2-((((2-methoxyphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitro-, N-(2-((((2-Methoxyphenyl)amino)thioxomethyl)amino)cyclopentyl)-N-methyl-4-nitrobenzamide, N-(2-Methoxyphenyl)-N'-[2-(N-methyl-4-nitrobenzamido)cyclopentyl]carbamimidothioic acid, N-(2-Methoxyphenyl)-N'-{2-[methyl(4-nitrobenzoyl)amino]cyclopentyl}carbamimidothioic acid, N-[2-[(2-methoxyphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide
| Molecular Formula | C21H24N4O4S |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 3.5831 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.15182 |
| Heavy Atoms | 30 |
| Complexity | 934.8585 |
Chemical Identifiers
| CAS Number | 77051-91-3 |
|---|---|
| SMILES | CN(C1CCCC1NC(=S)NC2=CC=CC=C2OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
RefChem:322157 (CAS 77051-91-3), with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol. IUPAC: N-[2-[(2-methoxyphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide.
Chemical Property Profile of RefChem:322157
Property Insights of RefChem:322157
The XLogP value of 3.5831 indicates that RefChem:322157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:322157. Following Lipinski's Rule of Five, RefChem:322157 has 2 hydrogen bond donor(s) and 5 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:322157?
The CAS number of RefChem:322157 is 77051-91-3.
What is the molecular formula of RefChem:322157?
The molecular formula of RefChem:322157 is C21H24N4O4S.
What is the molecular weight of RefChem:322157?
The molecular weight of RefChem:322157 is 428.15 g/mol.
Where can I buy RefChem:322157?
You can request a quote for RefChem:322157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322157?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.