4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide
TL;DR: 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide (CAS 499197-62-5) is a chemical compound with molecular formula C18H26ClN3S and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide
Also Known As: starbld0014109, 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide, (4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)(CYCLOHEXYLAMINO)METHANE-1-THIONE, AO-990/40919427, 4-(5-chloro-2-methylphenyl)-N-cyclohexyl-1-piperazinecarbothioamide
| Molecular Formula | C18H26ClN3S |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.97762 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.1536 |
| Heavy Atoms | 23 |
| Complexity | 549.1977 |
Chemical Identifiers
| CAS Number | 499197-62-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3CCCCC3 |
Product Overview
4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide (CAS 499197-62-5), with molecular formula C18H26ClN3S and molecular weight 351.15 g/mol. IUPAC: 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide
Property Insights of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide
The XLogP value of 3.97762 indicates that 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide?
The CAS number of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide is 499197-62-5.
What is the molecular formula of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide?
The molecular formula of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide is C18H26ClN3S.
What is the molecular weight of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide?
The molecular weight of 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide is 351.15 g/mol.
Where can I buy 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide?
You can request a quote for 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-chloro-2-methylphenyl)-N-cyclohexylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.