3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-
TL;DR: 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- (CAS 106064-14-6) is a chemical compound with molecular formula C27H33NO10 and molecular weight 531.21045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium
Also Known As: 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-, (Z)-3-(2-(3-(Dimethylamino)propoxy)phenoxy)-4-phenyl-3-buten-2-one citrate, (Z)-3-(4-(2-(Dimethylamino)propoxy(and 1-methylethoxy))phenoxy)-4-phenyl-3-buten-2-one citrate, 3-Buten-2-one, 3-(4-(2-(dimethylamino)propoxy(and 1-methylethoxy))phenoxy)-4-phenyl-, citrate (1:1), (Z)-, (Z)-3-(2-(3-(Dimethylamino)propoxy)phenoxy)-4-phenyl-3-buten-2-one cit rate
Technical Specifications
| Molecular Formula | C27H33NO10 |
| Molecular Weight | 531.21045 g/mol |
| XLogP | 0.0257 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 531.21045 Da |
| Heavy Atoms | 38 |
| Complexity | 649.0 |
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | JCVIRKVOGNFVBQ-PLMZOXRSSA-N |
Chemical Property Profile of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-
Property Insights of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-
The XLogP value of 0.0257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-. The TPSA of 175.0 Ų indicates high polarity, suggesting 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- 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 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-?
The CAS number of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- is 106064-14-6.
What is the molecular formula of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-?
The molecular formula of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- is C27H33NO10.
What is the molecular weight of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-?
The molecular weight of 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- is 531.21045 g/mol.
Where can I buy 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-?
You can request a quote for 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)-?
Yes, CoreyChem provides custom synthesis services for 3-Buten-2-one, 3-(2-(3-(dimethylamino)propoxy)phenoxy)-4-phenyl-, citrate (1:1), (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.