4J-654S
TL;DR: 4J-654S (CAS 339275-95-5) is a chemical compound with molecular formula C19H14BrF3N2OS2 and molecular weight 485.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfanyl-5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
Also Known As: 4J-654S, 4-(4-bromophenyl)sulfanyl-5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine, 4-[(4-bromophenyl)sulfanyl]-5-methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrimidine, 4-[(4-bromophenyl)sulfanyl]-5-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C19H14BrF3N2OS2 |
|---|---|
| Molecular Weight | 485.97 g/mol |
| LogP | 6.71 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.9683 |
| Heavy Atoms | 28 |
| Complexity | 952.65393 |
Chemical Identifiers
| CAS Number | 339275-95-5 |
|---|---|
| SMILES | COC1=CN=C(N=C1SC2=CC=C(C=C2)Br)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
4J-654S (CAS 339275-95-5), with molecular formula C19H14BrF3N2OS2 and molecular weight 485.97 g/mol. IUPAC: 4-(4-bromophenyl)sulfanyl-5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 4J-654S
Property Insights of 4J-654S
The XLogP value of 6.71 indicates that 4J-654S 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-654S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-654S 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-654S?
The CAS number of 4J-654S is 339275-95-5.
What is the molecular formula of 4J-654S?
The molecular formula of 4J-654S is C19H14BrF3N2OS2.
What is the molecular weight of 4J-654S?
The molecular weight of 4J-654S is 485.97 g/mol.
Where can I buy 4J-654S?
You can request a quote for 4J-654S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-654S?
Yes, KEHONG BIO provides custom synthesis services for 4J-654S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.