4J-668S
TL;DR: 4J-668S (CAS 400082-41-9) is a chemical compound with molecular formula C18H9Cl2F5N2OS2 and molecular weight 497.95 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-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrimidine
Also Known As: 4J-668S, 2-[(3,4-dichlorobenzyl)sulfanyl]-5-methoxy-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]pyrimidine, 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrimidine, 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]pyrimidine
| Molecular Formula | C18H9Cl2F5N2OS2 |
|---|---|
| Molecular Weight | 497.95 g/mol |
| LogP | 6.931 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.94534 |
| Heavy Atoms | 30 |
| Complexity | 1091.4153 |
Chemical Identifiers
| CAS Number | 400082-41-9 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=C(C(=C(C(=C2F)F)F)F)F)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
4J-668S (CAS 400082-41-9), with molecular formula C18H9Cl2F5N2OS2 and molecular weight 497.95 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrimidine.
Chemical Property Profile of 4J-668S
Property Insights of 4J-668S
The XLogP value of 6.931 indicates that 4J-668S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 4J-668S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-668S 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-668S?
The CAS number of 4J-668S is 400082-41-9.
What is the molecular formula of 4J-668S?
The molecular formula of 4J-668S is C18H9Cl2F5N2OS2.
What is the molecular weight of 4J-668S?
The molecular weight of 4J-668S is 497.95 g/mol.
Where can I buy 4J-668S?
You can request a quote for 4J-668S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-668S?
Yes, KEHONG BIO provides custom synthesis services for 4J-668S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.