![Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate structure](/static/products/5990/59901-90-5.webp)
Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate
TL;DR: Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate (CAS 59901-90-5) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-yl)methyl] acetate
Also Known As: 1'-Acetoxysafrole 2',3'-oxide, 1'-Acetoxysafrole-2',3'-oxide, 1,3-Benzodioxole-5-methanol, alpha-(oxiranyl)-, acetate (ester), alpha-Epoxyethyl-1,2-(methylenedioxy)benzyl alcohol acetate, [phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-5-yl)methyl] acetate
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 59901-90-5 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C23C(O2)OCO3 |
| InChIKey | JGYUUARPAOCCFC-UHFFFAOYSA-N |
Product Overview
Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate (CAS 59901-90-5), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: [phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-yl)methyl] acetate.
Chemical Property Profile of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate
Property Insights of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate. With a topological polar surface area (TPSA) of 57.3 Ų, Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate 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 Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate?
The CAS number of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate is 59901-90-5.
What is the molecular formula of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate?
The molecular formula of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate is C12H12O5.
What is the molecular weight of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate?
The molecular weight of Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate is 236.07 g/mol.
Where can I buy Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate?
You can request a quote for Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(2,4,6-trioxabicyclo[3.1.0]hexan-1-YL)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.