Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride
TL;DR: Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride (CAS 52771-02-5) is a chemical compound with molecular formula C20H34ClFN2O and molecular weight 372.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl-[2-(4-fluoroanilino)-2-oxoethyl]-dimethylazanium chloride
Also Known As: EINECS 258-167-2, Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride, decyl[2-[ amino]-2-oxoethyl]dimethylammoniumchloride, DECYL[2-[(4-FLUOROPHENYL)AMINO]-2-OXOETHYL]DIMETHYLAMMONIUM CHLORIDE, decyl-[2-(4-fluoroanilino)-2-oxoethyl]-dimethylazanium chloride
| Molecular Formula | C20H34ClFN2O |
|---|---|
| Molecular Weight | 372.23 g/mol |
| LogP | 1.9853 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 372.23438 |
| Heavy Atoms | 25 |
| Complexity | 477.08942 |
Chemical Identifiers
| CAS Number | 52771-02-5 |
|---|---|
| SMILES | CCCCCCCCCC[N+](C)(C)CC(=O)NC1=CC=C(C=C1)F.[Cl-] |
Product Overview
Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride (CAS 52771-02-5), with molecular formula C20H34ClFN2O and molecular weight 372.23 g/mol. IUPAC: decyl-[2-(4-fluoroanilino)-2-oxoethyl]-dimethylazanium chloride.
Chemical Property Profile of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride
Property Insights of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride
The XLogP value of 1.9853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride. With a topological polar surface area (TPSA) of 29.1 Ų, Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride?
The CAS number of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride is 52771-02-5.
What is the molecular formula of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride?
The molecular formula of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride is C20H34ClFN2O.
What is the molecular weight of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride?
The molecular weight of Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride is 372.23 g/mol.
Where can I buy Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride?
You can request a quote for Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Decyl(2-((4-fluorophenyl)amino)-2-oxoethyl)dimethylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.