RefChem:449721
TL;DR: RefChem:449721 (CAS 617697-54-8) is a chemical compound with molecular formula C21H12ClF4N3OS and molecular weight 465.03 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-(4-fluorophenyl)acetamide
Also Known As: 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide, 2-((6-(4-CHLOROPHENYL)-3-CYANO-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)SULFANYL)-N-(4-FLUOROPHENYL)ACETAMIDE, 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 638-462-6
| Molecular Formula | C21H12ClF4N3OS |
|---|---|
| Molecular Weight | 465.03 g/mol |
| LogP | 6.16238 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.03256 |
| Heavy Atoms | 31 |
| Complexity | 1143.517 |
Chemical Identifiers
| CAS Number | 617697-54-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)F)Cl |
Product Overview
RefChem:449721 (CAS 617697-54-8), with molecular formula C21H12ClF4N3OS and molecular weight 465.03 g/mol. IUPAC: 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of RefChem:449721
Property Insights of RefChem:449721
The XLogP value of 6.16238 indicates that RefChem:449721 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:449721. Following Lipinski's Rule of Five, RefChem:449721 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:449721?
The CAS number of RefChem:449721 is 617697-54-8.
What is the molecular formula of RefChem:449721?
The molecular formula of RefChem:449721 is C21H12ClF4N3OS.
What is the molecular weight of RefChem:449721?
The molecular weight of RefChem:449721 is 465.03 g/mol.
Where can I buy RefChem:449721?
You can request a quote for RefChem:449721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.