C21H14ClF3N2OS
TL;DR: C21H14ClF3N2OS (CAS 608494-88-8) is a chemical compound with molecular formula C21H14ClF3N2OS and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-((4-chlorobenzyl)thio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile, 2-[(4-chlorobenzyl)sulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C21H14ClF3N2OS |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | 6.59338 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.04675 |
| Heavy Atoms | 29 |
| Complexity | 1045.7518 |
Chemical Identifiers
| CAS Number | 608494-88-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Cl |
Product Overview
C21H14ClF3N2OS (CAS 608494-88-8), with molecular formula C21H14ClF3N2OS and molecular weight 434.05 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of C21H14ClF3N2OS
Property Insights of C21H14ClF3N2OS
The XLogP value of 6.59338 indicates that C21H14ClF3N2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, C21H14ClF3N2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H14ClF3N2OS 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 C21H14ClF3N2OS?
The CAS number of C21H14ClF3N2OS is 608494-88-8.
What is the molecular formula of C21H14ClF3N2OS?
The molecular formula of C21H14ClF3N2OS is C21H14ClF3N2OS.
What is the molecular weight of C21H14ClF3N2OS?
The molecular weight of C21H14ClF3N2OS is 434.05 g/mol.
Where can I buy C21H14ClF3N2OS?
You can request a quote for C21H14ClF3N2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H14ClF3N2OS?
Yes, KEHONG BIO provides custom synthesis services for C21H14ClF3N2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.