5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione
TL;DR: 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione (CAS 68871-12-5) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: BAS 00125150, 5-(4-DIETHYLAMINO-BENZYLIDENE)-2,2-DIMETHYL-(1,3)DIOXANE-4,6-DIONE, 5-{[4-(diethylamino)phenyl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(4-(Diethylamino)benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.7523 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 575.5899 |
Chemical Identifiers
| CAS Number | 68871-12-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)OC(OC2=O)(C)C |
Product Overview
5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione (CAS 68871-12-5), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione
Property Insights of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione
The XLogP value of 2.7523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione. With a topological polar surface area (TPSA) of 55.84 Ų, 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione has 0 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 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione?
The CAS number of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione is 68871-12-5.
What is the molecular formula of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione?
The molecular formula of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione is C17H21NO4.
What is the molecular weight of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione?
The molecular weight of 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione is 303.15 g/mol.
Where can I buy 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione?
You can request a quote for 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.