RefChem:449717
TL;DR: RefChem:449717 (CAS 617697-64-0) is a chemical compound with molecular formula C25H22F3N3O2S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide
Also Known As: 2-{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-phenylacetamide, 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenyl-acetamide, 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-phenylacetamide, 2-{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide, 2-((6-(4-BUTOXYPHENYL)-3-CYANO-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)SULFANYL)-N-PHENYLACETAMIDE
| Molecular Formula | C25H22F3N3O2S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 6.54878 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.1385 |
| Heavy Atoms | 34 |
| Complexity | 1161.0088 |
Chemical Identifiers
| CAS Number | 617697-64-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=CC=C3 |
Product Overview
RefChem:449717 (CAS 617697-64-0), with molecular formula C25H22F3N3O2S and molecular weight 485.14 g/mol. IUPAC: 2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of RefChem:449717
Property Insights of RefChem:449717
The XLogP value of 6.54878 indicates that RefChem:449717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449717. Following Lipinski's Rule of Five, RefChem:449717 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449717?
The CAS number of RefChem:449717 is 617697-64-0.
What is the molecular formula of RefChem:449717?
The molecular formula of RefChem:449717 is C25H22F3N3O2S.
What is the molecular weight of RefChem:449717?
The molecular weight of RefChem:449717 is 485.14 g/mol.
Where can I buy RefChem:449717?
You can request a quote for RefChem:449717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449717?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.