RefChem:332784
TL;DR: RefChem:332784 (CAS 965-80-0) is a chemical compound with molecular formula C15H22N2O2S2 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidothioate
Also Known As: Cyclohexyl-1 methyl-2 p-toluenesulfonyl-3 isothiouree [French], Cyclohexyl-1 methyl-2 p-toluenesulfonyl-3 isothiouree, Carbamimidothioic acid, N-cyclohexyl-N'-((4-methylphenyl)sulfonyl)-, methyl ester, Methyl N-cyclohexyl-N'-((4-methylphenyl)sulfonyl)carbamimidothioate, methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidothioate
| Molecular Formula | C15H22N2O2S2 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.11227 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 965-80-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCC2)SC |
| InChIKey | FZGKTLXUSMERCC-UHFFFAOYSA-N |
Product Overview
RefChem:332784 (CAS 965-80-0), with molecular formula C15H22N2O2S2 and molecular weight 326.11 g/mol. IUPAC: methyl N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidothioate.
Chemical Property Profile of RefChem:332784
Property Insights of RefChem:332784
The XLogP value of 3.9 indicates that RefChem:332784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332784. Following Lipinski's Rule of Five, RefChem:332784 has 1 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:332784?
The CAS number of RefChem:332784 is 965-80-0.
What is the molecular formula of RefChem:332784?
The molecular formula of RefChem:332784 is C15H22N2O2S2.
What is the molecular weight of RefChem:332784?
The molecular weight of RefChem:332784 is 326.11 g/mol.
Where can I buy RefChem:332784?
You can request a quote for RefChem:332784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332784?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.