2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether
TL;DR: 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether (CAS 338422-96-1) is a chemical compound with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4,5-dimethoxypyrimidine
Also Known As: 4J-308S, 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether, 2-[(4-chlorophenyl)methylsulfanyl]-4,5-dimethoxypyrimidine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-4,5-dimethoxypyrimidine, 2-[(4-chlorobenzyl)sulfanyl]-4-methoxy-5-pyrimidinyl methyl ether
| Molecular Formula | C13H13ClN2O2S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 3.4395 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.03864 |
| Heavy Atoms | 19 |
| Complexity | 548.83954 |
Chemical Identifiers
| CAS Number | 338422-96-1 |
|---|---|
| SMILES | COC1=CN=C(N=C1OC)SCC2=CC=C(C=C2)Cl |
Product Overview
2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether (CAS 338422-96-1), with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4,5-dimethoxypyrimidine.
Chemical Property Profile of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether
Property Insights of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether
The XLogP value of 3.4395 indicates that 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether has 0 hydrogen bond donor(s) and 5 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 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether?
The CAS number of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether is 338422-96-1.
What is the molecular formula of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether?
The molecular formula of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether is C13H13ClN2O2S.
What is the molecular weight of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether?
The molecular weight of 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether is 296.04 g/mol.
Where can I buy 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether?
You can request a quote for 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)sulfanyl)-4-methoxy-5-pyrimidinyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.