4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide
TL;DR: 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide (CAS 338961-75-4) is a chemical compound with molecular formula C23H24ClN3S and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-piperidin-1-ylpyrimidine
Also Known As: 5L-648S, 4-chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide, 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-piperidin-1-ylpyrimidine, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenyl-6-(piperidin-1-yl)pyrimidine, 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-(1-piperidyl)pyrimidine
| Molecular Formula | C23H24ClN3S |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 6.2207 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.13794 |
| Heavy Atoms | 28 |
| Complexity | 893.48083 |
Chemical Identifiers
| CAS Number | 338961-75-4 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide (CAS 338961-75-4), with molecular formula C23H24ClN3S and molecular weight 409.14 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-piperidin-1-ylpyrimidine.
Chemical Property Profile of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide
Property Insights of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide
The XLogP value of 6.2207 indicates that 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide 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-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide?
The CAS number of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide is 338961-75-4.
What is the molecular formula of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide?
The molecular formula of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide is C23H24ClN3S.
What is the molecular weight of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide?
The molecular weight of 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide is 409.14 g/mol.
Where can I buy 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide?
You can request a quote for 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.