11R-1146
TL;DR: 11R-1146 (CAS 778579-08-1) is a chemical compound with molecular formula C21H16Cl2F3N5S and molecular weight 497.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole
Also Known As: 11R-1146, 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole, 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole, 3-[(2,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
| Molecular Formula | C21H16Cl2F3N5S |
|---|---|
| Molecular Weight | 497.05 g/mol |
| LogP | 6.7686 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.04556 |
| Heavy Atoms | 32 |
| Complexity | 1238.2136 |
Chemical Identifiers
| CAS Number | 778579-08-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F |
Product Overview
11R-1146 (CAS 778579-08-1), with molecular formula C21H16Cl2F3N5S and molecular weight 497.05 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole.
Chemical Property Profile of 11R-1146
Property Insights of 11R-1146
The XLogP value of 6.7686 indicates that 11R-1146 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.53 Ų, 11R-1146 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11R-1146 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11R-1146?
The CAS number of 11R-1146 is 778579-08-1.
What is the molecular formula of 11R-1146?
The molecular formula of 11R-1146 is C21H16Cl2F3N5S.
What is the molecular weight of 11R-1146?
The molecular weight of 11R-1146 is 497.05 g/mol.
Where can I buy 11R-1146?
You can request a quote for 11R-1146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-1146?
Yes, KEHONG BIO provides custom synthesis services for 11R-1146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.