10H-518S
TL;DR: 10H-518S (CAS 252059-79-3) is a chemical compound with molecular formula C20H11ClF4N2O and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
Also Known As: 10H-518S, 1-(2-chloro-6-fluorobenzyl)-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile, 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile, 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C20H11ClF4N2O |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 5.24658 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0496 |
| Heavy Atoms | 28 |
| Complexity | 1125.9133 |
Chemical Identifiers
| CAS Number | 252059-79-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C(=O)N2CC3=C(C=CC=C3Cl)F)C#N |
Product Overview
10H-518S (CAS 252059-79-3), with molecular formula C20H11ClF4N2O and molecular weight 406.05 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
Chemical Property Profile of 10H-518S
Property Insights of 10H-518S
The XLogP value of 5.24658 indicates that 10H-518S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 10H-518S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10H-518S 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 10H-518S?
The CAS number of 10H-518S is 252059-79-3.
What is the molecular formula of 10H-518S?
The molecular formula of 10H-518S is C20H11ClF4N2O.
What is the molecular weight of 10H-518S?
The molecular weight of 10H-518S is 406.05 g/mol.
Where can I buy 10H-518S?
You can request a quote for 10H-518S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-518S?
Yes, KEHONG BIO provides custom synthesis services for 10H-518S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.