RefChem:449722
TL;DR: RefChem:449722 (CAS 617697-48-0) is a chemical compound with molecular formula C22H15ClF3N3O2S and molecular weight 477.05 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-methoxyphenyl)acetamide
Also Known As: 2-{[6-(4-CHLOROPHENYL)-3-CYANO-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}-N-(4-METHOXYPHENYL)ACETAMIDE, 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio}-N-(4-methoxyphenyl)acetamide, 2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide, 2-((6-(4-Chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-(4-methoxyphenyl)acetamide, 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C22H15ClF3N3O2S |
|---|---|
| Molecular Weight | 477.05 g/mol |
| LogP | 6.03188 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.05255 |
| Heavy Atoms | 32 |
| Complexity | 1161.269 |
Chemical Identifiers
| CAS Number | 617697-48-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N |
Product Overview
RefChem:449722 (CAS 617697-48-0), with molecular formula C22H15ClF3N3O2S and molecular weight 477.05 g/mol. IUPAC: 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of RefChem:449722
Property Insights of RefChem:449722
The XLogP value of 6.03188 indicates that RefChem:449722 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:449722. Following Lipinski's Rule of Five, RefChem:449722 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:449722?
The CAS number of RefChem:449722 is 617697-48-0.
What is the molecular formula of RefChem:449722?
The molecular formula of RefChem:449722 is C22H15ClF3N3O2S.
What is the molecular weight of RefChem:449722?
The molecular weight of RefChem:449722 is 477.05 g/mol.
Where can I buy RefChem:449722?
You can request a quote for RefChem:449722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.