9F-926
TL;DR: 9F-926 (CAS 338979-17-2) is a chemical compound with molecular formula C26H22Cl3F3N6S and molecular weight 612.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperazine
Also Known As: 9F-926, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-({5-[(2,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)piperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperazine
| Molecular Formula | C26H22Cl3F3N6S |
|---|---|
| Molecular Weight | 612.06 g/mol |
| LogP | 7.2558 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 612.06445 |
| Heavy Atoms | 39 |
| Complexity | 1442.8763 |
Chemical Identifiers
| CAS Number | 338979-17-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)Cl)Cl)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
9F-926 (CAS 338979-17-2), with molecular formula C26H22Cl3F3N6S and molecular weight 612.06 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperazine.
Chemical Property Profile of 9F-926
Property Insights of 9F-926
The XLogP value of 7.2558 indicates that 9F-926 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.08 Ų, 9F-926 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9F-926 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9F-926?
The CAS number of 9F-926 is 338979-17-2.
What is the molecular formula of 9F-926?
The molecular formula of 9F-926 is C26H22Cl3F3N6S.
What is the molecular weight of 9F-926?
The molecular weight of 9F-926 is 612.06 g/mol.
Where can I buy 9F-926?
You can request a quote for 9F-926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9F-926?
Yes, KEHONG BIO provides custom synthesis services for 9F-926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.