4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide
TL;DR: 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide (CAS 306980-68-7) is a chemical compound with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)sulfinylmethyl]-2-phenyl-6-piperidin-1-ylpyrimidine
Also Known As: 12K-542S, 4-chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide, 4-[(4-chlorophenyl)sulfinylmethyl]-2-phenyl-6-piperidin-1-ylpyrimidine, 4-[(4-chlorobenzenesulfinyl)methyl]-2-phenyl-6-(piperidin-1-yl)pyrimidine
| Molecular Formula | C22H22ClN3OS |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 5.0951 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.11722 |
| Heavy Atoms | 28 |
| Complexity | 957.2757 |
Chemical Identifiers
| CAS Number | 306980-68-7 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=C2)CS(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide (CAS 306980-68-7), with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol. IUPAC: 4-[(4-chlorophenyl)sulfinylmethyl]-2-phenyl-6-piperidin-1-ylpyrimidine.
Chemical Property Profile of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide
Property Insights of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide
The XLogP value of 5.0951 indicates that 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide?
The CAS number of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide is 306980-68-7.
What is the molecular formula of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide?
The molecular formula of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide is C22H22ClN3OS.
What is the molecular weight of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide?
The molecular weight of 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide is 411.12 g/mol.
Where can I buy 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide?
You can request a quote for 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.