5J-539S
TL;DR: 5J-539S (CAS 338955-94-5) is a chemical compound with molecular formula C19H13Cl2F3N2OS2 and molecular weight 475.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
Also Known As: 5J-539S, 2-[(2,6-dichlorobenzyl)sulfanyl]-5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine, 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine, 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine
| Molecular Formula | C19H13Cl2F3N2OS2 |
|---|---|
| Molecular Weight | 475.98 g/mol |
| LogP | 7.2543 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.97986 |
| Heavy Atoms | 29 |
| Complexity | 998.7347 |
Chemical Identifiers
| CAS Number | 338955-94-5 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=CC=CC(=C2)C(F)(F)F)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
5J-539S (CAS 338955-94-5), with molecular formula C19H13Cl2F3N2OS2 and molecular weight 475.98 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine.
Chemical Property Profile of 5J-539S
Property Insights of 5J-539S
The XLogP value of 7.2543 indicates that 5J-539S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 5J-539S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5J-539S 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 5J-539S?
The CAS number of 5J-539S is 338955-94-5.
What is the molecular formula of 5J-539S?
The molecular formula of 5J-539S is C19H13Cl2F3N2OS2.
What is the molecular weight of 5J-539S?
The molecular weight of 5J-539S is 475.98 g/mol.
Where can I buy 5J-539S?
You can request a quote for 5J-539S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5J-539S?
Yes, KEHONG BIO provides custom synthesis services for 5J-539S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.