4J-661S
TL;DR: 4J-661S (CAS 339276-02-7) is a chemical compound with molecular formula C18H13BrCl2N2OS2 and molecular weight 485.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine
Also Known As: 4J-661S, 4-[(4-bromophenyl)sulfanyl]-2-[(3,4-dichlorobenzyl)sulfanyl]-5-pyrimidinyl methyl ether, 4-(4-bromophenyl)sulfanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine, 4-[(4-bromophenyl)sulfanyl]-2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxypyrimidine, 4-(4-bromophenyl)sulfanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-pyrimidine
| Molecular Formula | C18H13BrCl2N2OS2 |
|---|---|
| Molecular Weight | 485.90 g/mol |
| LogP | 6.998 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.90298 |
| Heavy Atoms | 26 |
| Complexity | 910.193 |
Chemical Identifiers
| CAS Number | 339276-02-7 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=CC=C(C=C2)Br)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
4J-661S (CAS 339276-02-7), with molecular formula C18H13BrCl2N2OS2 and molecular weight 485.90 g/mol. IUPAC: 4-(4-bromophenyl)sulfanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidine.
Chemical Property Profile of 4J-661S
Property Insights of 4J-661S
The XLogP value of 6.998 indicates that 4J-661S 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-661S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-661S 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-661S?
The CAS number of 4J-661S is 339276-02-7.
What is the molecular formula of 4J-661S?
The molecular formula of 4J-661S is C18H13BrCl2N2OS2.
What is the molecular weight of 4J-661S?
The molecular weight of 4J-661S is 485.90 g/mol.
Where can I buy 4J-661S?
You can request a quote for 4J-661S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-661S?
Yes, KEHONG BIO provides custom synthesis services for 4J-661S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.