4J-678S
TL;DR: 4J-678S (CAS 339276-18-5) is a chemical compound with molecular formula C19H13Cl2F3N2O2S and molecular weight 460.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine
Also Known As: 4J-678S, 2-[(3,4-dichlorobenzyl)sulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine, 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine, 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine
| Molecular Formula | C19H13Cl2F3N2O2S |
|---|---|
| Molecular Weight | 460.00 g/mol |
| LogP | 6.8954 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0027 |
| Heavy Atoms | 29 |
| Complexity | 1018.9847 |
Chemical Identifiers
| CAS Number | 339276-18-5 |
|---|---|
| SMILES | COC1=CN=C(N=C1OC2=CC=CC(=C2)C(F)(F)F)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
4J-678S (CAS 339276-18-5), with molecular formula C19H13Cl2F3N2O2S and molecular weight 460.00 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine.
Chemical Property Profile of 4J-678S
Property Insights of 4J-678S
The XLogP value of 6.8954 indicates that 4J-678S 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-678S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-678S 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-678S?
The CAS number of 4J-678S is 339276-18-5.
What is the molecular formula of 4J-678S?
The molecular formula of 4J-678S is C19H13Cl2F3N2O2S.
What is the molecular weight of 4J-678S?
The molecular weight of 4J-678S is 460.00 g/mol.
Where can I buy 4J-678S?
You can request a quote for 4J-678S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-678S?
Yes, KEHONG BIO provides custom synthesis services for 4J-678S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.