![1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine structure](/static/products/868/86872-96-0.png)
1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine
TL;DR: 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine (CAS 86872-96-0) is a chemical compound with molecular formula C15H23ClN2S and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(butylsulfanylmethyl)-4-(4-chlorophenyl)piperazine
Also Known As: KST-1B8957, 1-[(butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine, 1-(butylthiomethyl)-4-(4-chlorophenyl)piperazine, 1-(butylsulfanylmethyl)-4-(4-chlorophenyl)piperazine, Piperazine,1-[(butylthio)methyl]-4-(4-chlorophenyl)-
| Molecular Formula | C15H23ClN2S |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.12704 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 86872-96-0 |
|---|---|
| SMILES | CCCCSCN1CCN(CC1)C2=CC=C(C=C2)Cl |
| InChIKey | UUFKUSLNXVIDHQ-UHFFFAOYSA-N |
Product Overview
1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine (CAS 86872-96-0), with molecular formula C15H23ClN2S and molecular weight 298.13 g/mol. IUPAC: 1-(butylsulfanylmethyl)-4-(4-chlorophenyl)piperazine.
Chemical Property Profile of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine
Property Insights of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine
The XLogP value of 4.5 indicates that 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine has 0 hydrogen bond donor(s) and 3 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 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine?
The CAS number of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine is 86872-96-0.
What is the molecular formula of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine?
The molecular formula of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine is C15H23ClN2S.
What is the molecular weight of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine?
The molecular weight of 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine is 298.13 g/mol.
Where can I buy 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine?
You can request a quote for 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Butylsulfanyl)methyl]-4-(4-chlorophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.