SSY726
TL;DR: SSY726 (CAS 13653-19-5) is a chemical compound with molecular formula C15H18F3N3O3S and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-methyl-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
Also Known As: SSY726, (R)-3-Methyl-3-(methylsulfonyl)-1-(1h-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol, SSY 726, 5-Bromo-4-chloro-2-nitroanisole, KST-1A1203
| Molecular Formula | C15H18F3N3O3S |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1021 |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 13653-19-5 |
|---|---|
| SMILES | CC(C)([C@](CN1C=NC=N1)(C2=CC=C(C=C2)C(F)(F)F)O)S(=O)(=O)C |
| InChIKey | NZEBWFSFYQECNY-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SSY726 (CAS 13653-19-5), with molecular formula C15H18F3N3O3S and molecular weight 377.10 g/mol. IUPAC: (2R)-3-methyl-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol.
Chemical Property Profile of SSY726
Property Insights of SSY726
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SSY726. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for SSY726. Following Lipinski's Rule of Five, SSY726 has 1 hydrogen bond donor(s) and 8 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 SSY726?
The CAS number of SSY726 is 13653-19-5.
What is the molecular formula of SSY726?
The molecular formula of SSY726 is C15H18F3N3O3S.
What is the molecular weight of SSY726?
The molecular weight of SSY726 is 377.10 g/mol.
Where can I buy SSY726?
You can request a quote for SSY726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SSY726?
Yes, KEHONG BIO provides custom synthesis services for SSY726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.