N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide
TL;DR: N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide (CAS 895983-79-6) is a chemical compound with molecular formula C18H27ClN3S+ and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide
Also Known As: N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide
| Molecular Formula | C18H27ClN3S+ |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 2.87842 |
| Topological Polar Surface Area | 19.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1614 |
| Heavy Atoms | 23 |
| Complexity | 549.1977 |
Chemical Identifiers
| CAS Number | 895983-79-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=S)N2CC[NH+](CC2)C3CCCCC3)Cl |
Product Overview
N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide (CAS 895983-79-6), with molecular formula C18H27ClN3S+ and molecular weight 352.16 g/mol. IUPAC: N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide.
Chemical Property Profile of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide
Property Insights of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide
The XLogP value of 2.87842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide. With a topological polar surface area (TPSA) of 19.71 Ų, N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide has 2 hydrogen bond donor(s) and 1 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 N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide?
The CAS number of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide is 895983-79-6.
What is the molecular formula of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide?
The molecular formula of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide is C18H27ClN3S+.
What is the molecular weight of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide?
The molecular weight of N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide is 352.16 g/mol.
Where can I buy N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide?
You can request a quote for N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4-methylphenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.