(4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
TL;DR: (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone (CAS 831244-91-8) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
Also Known As: (4-benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone, [4-(diphenylmethyl)piperazin-1-yl][2-(methylsulfanyl)phenyl]methanone
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 4.9559 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 897.80676 |
Chemical Identifiers
| CAS Number | 831244-91-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
(4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone (CAS 831244-91-8), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: (4-benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone.
Chemical Property Profile of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
Property Insights of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
The XLogP value of 4.9559 indicates that (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone 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 (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
The CAS number of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone is 831244-91-8.
What is the molecular formula of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
The molecular formula of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone is C25H26N2OS.
What is the molecular weight of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
The molecular weight of (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone is 402.18 g/mol.
Where can I buy (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
You can request a quote for (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzhydrylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.