6J-514S
TL;DR: 6J-514S (CAS 338964-40-2) is a chemical compound with molecular formula C20H11Cl2F3N2O and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
Also Known As: 6J-514S, 1-(2,6-dichlorobenzyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile, 1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile, 1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C20H11Cl2F3N2O |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 5.76088 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.02005 |
| Heavy Atoms | 28 |
| Complexity | 1127.1584 |
Chemical Identifiers
| CAS Number | 338964-40-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C(=O)C(=C2)C#N)CC3=C(C=CC=C3Cl)Cl |
Product Overview
6J-514S (CAS 338964-40-2), with molecular formula C20H11Cl2F3N2O and molecular weight 422.02 g/mol. IUPAC: 1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
Chemical Property Profile of 6J-514S
Property Insights of 6J-514S
The XLogP value of 5.76088 indicates that 6J-514S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 6J-514S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6J-514S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6J-514S?
The CAS number of 6J-514S is 338964-40-2.
What is the molecular formula of 6J-514S?
The molecular formula of 6J-514S is C20H11Cl2F3N2O.
What is the molecular weight of 6J-514S?
The molecular weight of 6J-514S is 422.02 g/mol.
Where can I buy 6J-514S?
You can request a quote for 6J-514S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6J-514S?
Yes, KEHONG BIO provides custom synthesis services for 6J-514S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.