9F-941
TL;DR: 9F-941 (CAS 338979-29-6) is a chemical compound with molecular formula C26H23Cl2F3N6S and molecular weight 578.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
Also Known As: 9F-941, 1-({5-[(4-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine, 1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperazine
| Molecular Formula | C26H23Cl2F3N6S |
|---|---|
| Molecular Weight | 578.10 g/mol |
| LogP | 6.6024 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.1034 |
| Heavy Atoms | 38 |
| Complexity | 1374.2515 |
Chemical Identifiers
| CAS Number | 338979-29-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
9F-941 (CAS 338979-29-6), with molecular formula C26H23Cl2F3N6S and molecular weight 578.10 g/mol. IUPAC: 1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine.
Chemical Property Profile of 9F-941
Property Insights of 9F-941
The XLogP value of 6.6024 indicates that 9F-941 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-941 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9F-941 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-941?
The CAS number of 9F-941 is 338979-29-6.
What is the molecular formula of 9F-941?
The molecular formula of 9F-941 is C26H23Cl2F3N6S.
What is the molecular weight of 9F-941?
The molecular weight of 9F-941 is 578.10 g/mol.
Where can I buy 9F-941?
You can request a quote for 9F-941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9F-941?
Yes, KEHONG BIO provides custom synthesis services for 9F-941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.