(Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate
TL;DR: (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate (CAS 106063-70-1) is a chemical compound with molecular formula C28H35NO10 and molecular weight 545.2261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[4-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl]azanium
Also Known As: (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate, 3-Buten-2-one, 3-(4-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate,diethyl-[2-[4-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl]azanium, 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[4-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl]azanium, 3-BUTEN-2-ONE, 3-(4-(2-(DIETHYLAMINO)ETHOXY)PHENOXY)-4-PHENYL-, CITRATE (1:1), (
Technical Specifications
| Molecular Formula | C28H35NO10 |
| Molecular Weight | 545.2261 g/mol |
| XLogP | 0.4158 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 545.2261 Da |
| Heavy Atoms | 39 |
| Complexity | 653.0 |
| SMILES | CC[NH+](CC)CCOC1=CC=C(C=C1)O/C(=C\C2=CC=CC=C2)/C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | WTZPAPRXKGPAKD-JJECXDOKSA-N |
Chemical Property Profile of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate
Property Insights of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate
The XLogP value of 0.4158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate. The TPSA of 175.0 Ų indicates high polarity, suggesting (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate 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-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate?
The CAS number of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate is 106063-70-1.
What is the molecular formula of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate?
The molecular formula of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate is C28H35NO10.
What is the molecular weight of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate?
The molecular weight of (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate is 545.2261 g/mol.
Where can I buy (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate?
You can request a quote for (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate?
Yes, CoreyChem provides custom synthesis services for (Z)-3-(4-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.