9N-569S
TL;DR: 9N-569S (CAS 478247-28-8) is a chemical compound with molecular formula C24H17F3N2O2S2 and molecular weight 486.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
Also Known As: 9N-569S, 4-methylphenyl 2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinyl sulfone, 5-(4-methylbenzenesulfonyl)-2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine, 5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine, 5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine
| Molecular Formula | C24H17F3N2O2S2 |
|---|---|
| Molecular Weight | 486.07 g/mol |
| LogP | 6.45482 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.06836 |
| Heavy Atoms | 33 |
| Complexity | 1389.6458 |
Chemical Identifiers
| CAS Number | 478247-28-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2SC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
9N-569S (CAS 478247-28-8), with molecular formula C24H17F3N2O2S2 and molecular weight 486.07 g/mol. IUPAC: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine.
Chemical Property Profile of 9N-569S
Property Insights of 9N-569S
The XLogP value of 6.45482 indicates that 9N-569S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 9N-569S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-569S 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 9N-569S?
The CAS number of 9N-569S is 478247-28-8.
What is the molecular formula of 9N-569S?
The molecular formula of 9N-569S is C24H17F3N2O2S2.
What is the molecular weight of 9N-569S?
The molecular weight of 9N-569S is 486.07 g/mol.
Where can I buy 9N-569S?
You can request a quote for 9N-569S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-569S?
Yes, KEHONG BIO provides custom synthesis services for 9N-569S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.