RefChem:449719
TL;DR: RefChem:449719 (CAS 617697-50-4) is a chemical compound with molecular formula C22H15ClF3N3OS and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: SALOR-INT L418781-1EA, 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide, 2-((6-(4-Chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(3-methylphenyl)acetamide, 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C22H15ClF3N3OS |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 6.3317 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.05765 |
| Heavy Atoms | 31 |
| Complexity | 1158.1432 |
Chemical Identifiers
| CAS Number | 617697-50-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N |
Product Overview
RefChem:449719 (CAS 617697-50-4), with molecular formula C22H15ClF3N3OS and molecular weight 461.06 g/mol. IUPAC: 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of RefChem:449719
Property Insights of RefChem:449719
The XLogP value of 6.3317 indicates that RefChem:449719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449719. Following Lipinski's Rule of Five, RefChem:449719 has 1 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 RefChem:449719?
The CAS number of RefChem:449719 is 617697-50-4.
What is the molecular formula of RefChem:449719?
The molecular formula of RefChem:449719 is C22H15ClF3N3OS.
What is the molecular weight of RefChem:449719?
The molecular weight of RefChem:449719 is 461.06 g/mol.
Where can I buy RefChem:449719?
You can request a quote for RefChem:449719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449719?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.