3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate
TL;DR: 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate (CAS 100482-62-0) is a chemical compound with molecular formula C22H25NO5S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-ylbut-1-enyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 4-(Diethylamino)-1-phenyl-1-(2-thienyl)-3-buten-2-one maleate, 3-BUTEN-2-ONE, 4-(DIETHYLAMINO)-1-PHENYL-1-(2-THIENYL)-, MALEATE, diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-ylbut-1-enyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1067480
| Molecular Formula | C22H25NO5S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 1.2646 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.14536 |
| Heavy Atoms | 29 |
| Complexity | 808.1522 |
Chemical Identifiers
| CAS Number | 100482-62-0 |
|---|---|
| SMILES | CC[NH+](CC)/C=C/C(=O)C(C1=CC=CC=C1)C2=CC=CS2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate (CAS 100482-62-0), with molecular formula C22H25NO5S and molecular weight 415.15 g/mol. IUPAC: diethyl-[(E)-3-oxo-4-phenyl-4-thiophen-2-ylbut-1-enyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate
Property Insights of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate
The XLogP value of 1.2646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, 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-phenyl-1-(2-thienyl)-, maleate. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate has 2 hydrogen bond donor(s) and 5 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-phenyl-1-(2-thienyl)-, maleate?
The CAS number of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate is 100482-62-0.
What is the molecular formula of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate?
The molecular formula of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate is C22H25NO5S.
What is the molecular weight of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate?
The molecular weight of 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate is 415.15 g/mol.
Where can I buy 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate?
You can request a quote for 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, 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-phenyl-1-(2-thienyl)-, maleate?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(diethylamino)-1-phenyl-1-(2-thienyl)-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.