3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate
TL;DR: 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate (CAS 100482-60-8) is a chemical compound with molecular formula C24H27NO5 and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[(E)-3-oxo-4,4-diphenylbut-1-enyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 4-(Diethylamino)-1,1-diphenyl-3-buten-2-one maleate, 3-BUTEN-2-ONE, 4-(DIETHYLAMINO)-1,1-DIPHENYL-, MALEATE, diethyl-[(E)-3-oxo-4,4-diphenylbut-1-enyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1067479
| Molecular Formula | C24H27NO5 |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 1.2031 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.18893 |
| Heavy Atoms | 30 |
| Complexity | 800.17975 |
Chemical Identifiers
| CAS Number | 100482-60-8 |
|---|---|
| SMILES | CC[NH+](CC)/C=C/C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate (CAS 100482-60-8), with molecular formula C24H27NO5 and molecular weight 409.19 g/mol. IUPAC: diethyl-[(E)-3-oxo-4,4-diphenylbut-1-enyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate
Property Insights of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate
The XLogP value of 1.2031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate has 2 hydrogen bond donor(s) and 4 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 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate?
The CAS number of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate is 100482-60-8.
What is the molecular formula of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate?
The molecular formula of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate is C24H27NO5.
What is the molecular weight of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate?
The molecular weight of 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate is 409.19 g/mol.
Where can I buy 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate?
You can request a quote for 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(diethylamino)-1,1-diphenyl-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.