1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-
TL;DR: 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- (CAS 66307-35-5) is a chemical compound with molecular formula C20H26N2OS and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
Also Known As: NCIOpen2_009828, alpha-Phenylthiomethyl-4-(o-tolyl)-1-piperazineethanol, 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-, 1-[4-(2-Methylphenyl)piperazin-1-yl]-3-(phenylsulfanyl)propan-2-ol, 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
| Molecular Formula | C20H26N2OS |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.17657 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 66307-35-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CC(CSC3=CC=CC=C3)O |
| InChIKey | AWQRVDXIHPAUQH-UHFFFAOYSA-N |
Product Overview
1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- (CAS 66307-35-5), with molecular formula C20H26N2OS and molecular weight 342.18 g/mol. IUPAC: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.
Chemical Property Profile of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-
Property Insights of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-
The XLogP value of 3.8 indicates that 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- has 1 hydrogen bond donor(s) and 4 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-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-?
The CAS number of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- is 66307-35-5.
What is the molecular formula of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-?
The molecular formula of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- is C20H26N2OS.
What is the molecular weight of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-?
The molecular weight of 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- is 342.18 g/mol.
Where can I buy 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-?
You can request a quote for 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, alpha-phenylthiomethyl-4-(o-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.