2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)
TL;DR: 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) (CAS 106063-80-3) is a chemical compound with molecular formula C28H37NO10 and molecular weight 547.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[3-(3-oxo-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium
Also Known As: 3-(2-(2-(Diethylamino)ethoxy)phenoxy)-4-phenylbutan-2-one citrate, 2-BUTANONE, 3-(2-(2-(DIETHYLAMINO)ETHOXY)PHENOXY)-4-PHENYL-, CITRATE (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[3-(3-oxo-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium, n,n-diethyl-2-{3-[(3-oxo-1-phenylbutan-2-yl)oxy]phenoxy}ethanaminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate, RefChem:257798
| Molecular Formula | C28H37NO10 |
|---|---|
| Molecular Weight | 547.24 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 547.24176 |
| Heavy Atoms | 39 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 106063-80-3 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC(=CC=C1)OC(CC2=CC=CC=C2)C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | RFVGMKUHOCHMJM-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) (CAS 106063-80-3), with molecular formula C28H37NO10 and molecular weight 547.24 g/mol. IUPAC: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-[3-(3-oxo-1-phenylbutan-2-yl)oxyphenoxy]ethyl]azanium.
Chemical Property Profile of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)
Property Insights of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)
The XLogP value of -0.01 indicates that 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, 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
Frequently Asked Questions
What is the CAS number of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)?
The CAS number of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) is 106063-80-3.
What is the molecular formula of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)?
The molecular formula of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) is C28H37NO10.
What is the molecular weight of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)?
The molecular weight of 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) is 547.24 g/mol.
Where can I buy 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)?
You can request a quote for 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.