2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione (CAS 548765-13-5) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cinnamylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-cinnamylidene-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-cinnamylidene-2,2-dimethyl-1,3-dioxane-4,6-quinone, 2,2-dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-(3-phenyl-2-propenylidene)-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-phenyl-2-propenylidene)-
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.4623 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 530.7681 |
Chemical Identifiers
| CAS Number | 548765-13-5 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC=CC2=CC=CC=C2)C(=O)O1)C |
Product Overview
2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione (CAS 548765-13-5), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 5-cinnamylidene-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione
The XLogP value of 2.4623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione has 0 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 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione is 548765-13-5.
What is the molecular formula of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione is C15H14O4.
What is the molecular weight of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione is 258.09 g/mol.
Where can I buy 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-(3-phenyl-allylidene)-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 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-(3-phenyl-allylidene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.