8N-705
TL;DR: 8N-705 (CAS 339106-57-9) is a chemical compound with molecular formula C20H11Cl3F3NO2 and molecular weight 458.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 3,4-dichlorobenzoate
Also Known As: 8N-705, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 3,4-dichlorobenzoate, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl 3,4-dichlorobenzenecarboxylate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl 3,4-dichlorobenzoate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl3,4-dichlorobenzoate
| Molecular Formula | C20H11Cl3F3NO2 |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 6.8706 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.98074 |
| Heavy Atoms | 29 |
| Complexity | 1053.8274 |
Chemical Identifiers
| CAS Number | 339106-57-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(C=C(C=N2)C(F)(F)F)Cl)OC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
8N-705 (CAS 339106-57-9), with molecular formula C20H11Cl3F3NO2 and molecular weight 458.98 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 3,4-dichlorobenzoate.
Chemical Property Profile of 8N-705
Property Insights of 8N-705
The XLogP value of 6.8706 indicates that 8N-705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 8N-705 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8N-705 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8N-705?
The CAS number of 8N-705 is 339106-57-9.
What is the molecular formula of 8N-705?
The molecular formula of 8N-705 is C20H11Cl3F3NO2.
What is the molecular weight of 8N-705?
The molecular weight of 8N-705 is 458.98 g/mol.
Where can I buy 8N-705?
You can request a quote for 8N-705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-705?
Yes, KEHONG BIO provides custom synthesis services for 8N-705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.