9J-533S
TL;DR: 9J-533S (CAS 866143-23-9) is a chemical compound with molecular formula C16H14F6N2OS and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one
Also Known As: 9J-533S, 3-propyl-6-(trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-pyrimidinone, 3-propyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one, 3-propyl-6-(trifluoromethyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydropyrimidin-4-one
| Molecular Formula | C16H14F6N2OS |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 4.9832 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0731 |
| Heavy Atoms | 26 |
| Complexity | 828.7104 |
Chemical Identifiers
| CAS Number | 866143-23-9 |
|---|---|
| SMILES | CCCN1C(=O)C=C(N=C1SCC2=CC(=CC=C2)C(F)(F)F)C(F)(F)F |
Product Overview
9J-533S (CAS 866143-23-9), with molecular formula C16H14F6N2OS and molecular weight 396.07 g/mol. IUPAC: 3-propyl-6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one.
Chemical Property Profile of 9J-533S
Property Insights of 9J-533S
The XLogP value of 4.9832 indicates that 9J-533S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 9J-533S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9J-533S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9J-533S?
The CAS number of 9J-533S is 866143-23-9.
What is the molecular formula of 9J-533S?
The molecular formula of 9J-533S is C16H14F6N2OS.
What is the molecular weight of 9J-533S?
The molecular weight of 9J-533S is 396.07 g/mol.
Where can I buy 9J-533S?
You can request a quote for 9J-533S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9J-533S?
Yes, KEHONG BIO provides custom synthesis services for 9J-533S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.