5J-537S
TL;DR: 5J-537S (CAS 338955-90-1) is a chemical compound with molecular formula C18H13Cl3N2OS2 and molecular weight 441.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine
Also Known As: 5J-537S, 4-[(4-chlorophenyl)sulfanyl]-2-[(2,6-dichlorobenzyl)sulfanyl]-5-pyrimidinyl methyl ether, 4-(4-chlorophenyl)sulfanyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine, 4-[(4-chlorophenyl)sulfanyl]-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxypyrimidine, 4-(4-chlorophenyl)sulfanyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-pyrimidine
| Molecular Formula | C18H13Cl3N2OS2 |
|---|---|
| Molecular Weight | 441.95 g/mol |
| LogP | 6.8889 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.9535 |
| Heavy Atoms | 26 |
| Complexity | 887.1881 |
Chemical Identifiers
| CAS Number | 338955-90-1 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=CC=C(C=C2)Cl)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
5J-537S (CAS 338955-90-1), with molecular formula C18H13Cl3N2OS2 and molecular weight 441.95 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine.
Chemical Property Profile of 5J-537S
Property Insights of 5J-537S
The XLogP value of 6.8889 indicates that 5J-537S 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-537S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5J-537S 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-537S?
The CAS number of 5J-537S is 338955-90-1.
What is the molecular formula of 5J-537S?
The molecular formula of 5J-537S is C18H13Cl3N2OS2.
What is the molecular weight of 5J-537S?
The molecular weight of 5J-537S is 441.95 g/mol.
Where can I buy 5J-537S?
You can request a quote for 5J-537S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5J-537S?
Yes, KEHONG BIO provides custom synthesis services for 5J-537S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.