![4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide structure](/static/products/3389/338961-72-1.webp)
4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
TL;DR: 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide (CAS 338961-72-1) is a chemical compound with molecular formula C22H22ClN3S and molecular weight 395.12 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-pyrrolidin-1-ylpyrimidine
Also Known As: Bionet1_002459, 5L-642S, 4-chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide, 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine
| Molecular Formula | C22H22ClN3S |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 5.8306 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.12228 |
| Heavy Atoms | 27 |
| Complexity | 877.8196 |
Chemical Identifiers
| CAS Number | 338961-72-1 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide (CAS 338961-72-1), with molecular formula C22H22ClN3S and molecular weight 395.12 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
Property Insights of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide
The XLogP value of 5.8306 indicates that 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
The CAS number of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is 338961-72-1.
What is the molecular formula of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
The molecular formula of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is C22H22ClN3S.
What is the molecular weight of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
The molecular weight of 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide is 395.12 g/mol.
Where can I buy 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
You can request a quote for 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.