Dithiotolperidine
TL;DR: Dithiotolperidine (CAS 3952-92-9) is a chemical compound with molecular formula C25H35NS2 and molecular weight 413.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine
Also Known As: Dithiotolperidine, 5-20-02-00150 (Beilstein Handbook Reference), 1-(2-((p-(Butylthio)-alpha-(p-tolyl)benzyl)thio)ethyl)piperidine, Piperidine, 1-(2-((p-(butylthio)-alpha-(p-tolyl)benzyl)thio)ethyl)-, 1-[2-({[4-(butylsulfanyl)phenyl](4-methylphenyl)methyl}sulfanyl)ethyl]piperidine
| Molecular Formula | C25H35NS2 |
|---|---|
| Molecular Weight | 413.22 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.2211 |
| Heavy Atoms | 28 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 3952-92-9 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)SCCN3CCCCC3 |
| InChIKey | HNNOVLGESKWRIK-UHFFFAOYSA-N |
Product Overview
Dithiotolperidine (CAS 3952-92-9), with molecular formula C25H35NS2 and molecular weight 413.22 g/mol. IUPAC: 1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine.
Chemical Property Profile of Dithiotolperidine
Property Insights of Dithiotolperidine
The XLogP value of 7.1 indicates that Dithiotolperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, Dithiotolperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiotolperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dithiotolperidine?
The CAS number of Dithiotolperidine is 3952-92-9.
What is the molecular formula of Dithiotolperidine?
The molecular formula of Dithiotolperidine is C25H35NS2.
What is the molecular weight of Dithiotolperidine?
The molecular weight of Dithiotolperidine is 413.22 g/mol.
Where can I buy Dithiotolperidine?
You can request a quote for Dithiotolperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiotolperidine?
Yes, KEHONG BIO provides custom synthesis services for Dithiotolperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.