4-benzyl-N-cyclohexylpiperazine-1-carbothioamide
TL;DR: 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide (CAS 401635-95-8) is a chemical compound with molecular formula C18H27N3S and molecular weight 317.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-cyclohexylpiperazine-1-carbothioamide
Also Known As: 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide, 4-benzyl-N-cyclohexyl-1-piperazinecarbothioamide, 4-benzyl-N-cyclohexyl-piperazine-1-carbothioamide, (cyclohexylamino)[4-benzylpiperazinyl]methane-1-thione
| Molecular Formula | C18H27N3S |
|---|---|
| Molecular Weight | 317.19 g/mol |
| LogP | 3.0114 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.19257 |
| Heavy Atoms | 22 |
| Complexity | 462.48044 |
Chemical Identifiers
| CAS Number | 401635-95-8 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
4-benzyl-N-cyclohexylpiperazine-1-carbothioamide (CAS 401635-95-8), with molecular formula C18H27N3S and molecular weight 317.19 g/mol. IUPAC: 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide
Property Insights of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide
The XLogP value of 3.0114 indicates that 4-benzyl-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-benzyl-N-cyclohexylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-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-benzyl-N-cyclohexylpiperazine-1-carbothioamide?
The CAS number of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide is 401635-95-8.
What is the molecular formula of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide?
The molecular formula of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide is C18H27N3S.
What is the molecular weight of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide?
The molecular weight of 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide is 317.19 g/mol.
Where can I buy 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide?
You can request a quote for 4-benzyl-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-benzyl-N-cyclohexylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-cyclohexylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.