(Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate
TL;DR: (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate (CAS 106064-03-3) is a chemical compound with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-di(propan-2-yl)azanium chloride
Also Known As: (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate, 3-Buten-2-one, 3-(2-(2-(diisopropylamino)ethoxy)phenoxy)-4-phenyl-, hydrochloride, hydrate, (Z)-, 2-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-di(propan-2-yl)azanium chloride, 3-BUTEN-2-ONE, 3-(2-(2-(DIISOPROPYLAMINO)ETHOXY)PHENOXY)-4-PHENYL-, HYDROCHLORID, RefChem:1067459
| Molecular Formula | C24H32ClNO3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 0.78 |
| Topological Polar Surface Area | 39.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.20706 |
| Heavy Atoms | 29 |
| Complexity | 779.7226 |
Chemical Identifiers
| CAS Number | 106064-03-3 |
|---|---|
| SMILES | CC(C)[NH+](CCOC1=CC=CC=C1O/C(=C\C2=CC=CC=C2)/C(=O)C)C(C)C.[Cl-] |
Product Overview
(Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate (CAS 106064-03-3), with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol. IUPAC: 2-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-di(propan-2-yl)azanium chloride.
Chemical Property Profile of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate
Property Insights of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate. With a topological polar surface area (TPSA) of 39.97 Ų, (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate has 1 hydrogen bond donor(s) and 3 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 (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate?
The CAS number of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate is 106064-03-3.
What is the molecular formula of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate?
The molecular formula of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate is C24H32ClNO3.
What is the molecular weight of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate?
The molecular weight of (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate is 417.21 g/mol.
Where can I buy (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate?
You can request a quote for (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2-(2-(Diisopropylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.