4J-665S
TL;DR: 4J-665S (CAS 339276-05-0) is a chemical compound with molecular formula C20H17F3N2O2S2 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
Also Known As: 4J-665S, 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine, 5-methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrimidine, 5-methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C20H17F3N2O2S2 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 5.9561 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.06836 |
| Heavy Atoms | 29 |
| Complexity | 966.6853 |
Chemical Identifiers
| CAS Number | 339276-05-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=NC(=NC=C2OC)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
4J-665S (CAS 339276-05-0), with molecular formula C20H17F3N2O2S2 and molecular weight 438.07 g/mol. IUPAC: 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 4J-665S
Property Insights of 4J-665S
The XLogP value of 5.9561 indicates that 4J-665S 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-665S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-665S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4J-665S?
The CAS number of 4J-665S is 339276-05-0.
What is the molecular formula of 4J-665S?
The molecular formula of 4J-665S is C20H17F3N2O2S2.
What is the molecular weight of 4J-665S?
The molecular weight of 4J-665S is 438.07 g/mol.
Where can I buy 4J-665S?
You can request a quote for 4J-665S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-665S?
Yes, KEHONG BIO provides custom synthesis services for 4J-665S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.