(Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)
TL;DR: (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) (CAS 106064-11-3) is a chemical compound with molecular formula C28H34ClNO10 and molecular weight 579.18713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-[4-chloro-2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-diethylazanium
Also Known As: (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1), 3-Buten-2-one, 3-(5-chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-[4-chloro-2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-diethylazanium, 3-BUTEN-2-ONE, 3-(5-CHLORO-2-(2-(DIETHYLAMINO)ETHOXY)PHENOXY)-4-PHENYL-, CITRATE, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate,2-[4-chloro-2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-diethylazanium
Technical Specifications
| Molecular Formula | C28H34ClNO10 |
| Molecular Weight | 579.18713 g/mol |
| XLogP | 1.0692 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 579.18713 Da |
| Heavy Atoms | 40 |
| Complexity | 694.0 |
| SMILES | CC[NH+](CC)CCOC1=C(C=C(C=C1)Cl)O/C(=C\C2=CC=CC=C2)/C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | PMCOAKVXCMEQPN-XGRJIHFXSA-N |
Chemical Property Profile of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)
Property Insights of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)
The XLogP value of 1.0692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1). The TPSA of 175.0 Ų indicates high polarity, suggesting (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)?
The CAS number of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) is 106064-11-3.
What is the molecular formula of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)?
The molecular formula of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) is C28H34ClNO10.
What is the molecular weight of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)?
The molecular weight of (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) is 579.18713 g/mol.
Where can I buy (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)?
You can request a quote for (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1)?
Yes, CoreyChem provides custom synthesis services for (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.