4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
TL;DR: 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- (CAS 77092-12-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
Also Known As: 2,2-dimethyl-6-phenyl-1,3-dioxin-4-one, 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-, 2,2-Dimethyl-6-phenyl-4H-1,3-dioxin-4-one, 6-phenyl-2,2-dimethyl-1,3-dioxin-4-one, 2,2-Dimethyl-6-phenyl-2H,4H-1,3-dioxin-4-one
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.337 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 404.13522 |
Chemical Identifiers
| CAS Number | 77092-12-7 |
|---|---|
| SMILES | CC1(OC(=CC(=O)O1)C2=CC=CC=C2)C |
Product Overview
4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- (CAS 77092-12-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 2,2-dimethyl-6-phenyl-1,3-dioxin-4-one.
Chemical Property Profile of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
Property Insights of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
The XLogP value of 2.337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-. With a topological polar surface area (TPSA) of 35.53 Ų, 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- has 0 hydrogen bond donor(s) and 3 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 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-?
The CAS number of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- is 77092-12-7.
What is the molecular formula of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-?
The molecular formula of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- is C12H12O3.
What is the molecular weight of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-?
The molecular weight of 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- is 204.08 g/mol.
Where can I buy 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-?
You can request a quote for 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.