4J-322S
TL;DR: 4J-322S (CAS 338423-07-7) is a chemical compound with molecular formula C19H14ClF3N2O2S and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine
Also Known As: 4J-322S, 2-((4-Chlorobenzyl)sulfanyl)-5-methoxy-4-pyrimidinyl 3-(trifluoromethyl)phenyl ether, 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine, 2-[(4-chlorobenzyl)sulfanyl]-5-methoxy-4-pyrimidinyl 3-(trifluoromethyl)phenyl ether
| Molecular Formula | C19H14ClF3N2O2S |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 6.242 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.04166 |
| Heavy Atoms | 28 |
| Complexity | 952.65393 |
Chemical Identifiers
| CAS Number | 338423-07-7 |
|---|---|
| SMILES | COC1=CN=C(N=C1OC2=CC=CC(=C2)C(F)(F)F)SCC3=CC=C(C=C3)Cl |
Product Overview
4J-322S (CAS 338423-07-7), with molecular formula C19H14ClF3N2O2S and molecular weight 426.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine.
Chemical Property Profile of 4J-322S
Property Insights of 4J-322S
The XLogP value of 6.242 indicates that 4J-322S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 4J-322S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-322S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4J-322S?
The CAS number of 4J-322S is 338423-07-7.
What is the molecular formula of 4J-322S?
The molecular formula of 4J-322S is C19H14ClF3N2O2S.
What is the molecular weight of 4J-322S?
The molecular weight of 4J-322S is 426.04 g/mol.
Where can I buy 4J-322S?
You can request a quote for 4J-322S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-322S?
Yes, KEHONG BIO provides custom synthesis services for 4J-322S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.