Isolevoglucosenone
TL;DR: Isolevoglucosenone (CAS 307991-08-8) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
Also Known As: isolevoglucosenone, 6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | -0.1332 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 173.14178 |
Chemical Identifiers
| CAS Number | 307991-08-8 |
|---|---|
| SMILES | C1C2C(=O)C=CC(O1)O2 |
Product Overview
Isolevoglucosenone (CAS 307991-08-8), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 6,8-dioxabicyclo[3.2.1]oct-3-en-2-one.
Chemical Property Profile of Isolevoglucosenone
Property Insights of Isolevoglucosenone
The XLogP value of -0.1332 indicates that Isolevoglucosenone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.53 Ų, Isolevoglucosenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isolevoglucosenone 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 Isolevoglucosenone?
The CAS number of Isolevoglucosenone is 307991-08-8.
What is the molecular formula of Isolevoglucosenone?
The molecular formula of Isolevoglucosenone is C6H6O3.
What is the molecular weight of Isolevoglucosenone?
The molecular weight of Isolevoglucosenone is 126.03 g/mol.
Where can I buy Isolevoglucosenone?
You can request a quote for Isolevoglucosenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isolevoglucosenone?
Yes, KEHONG BIO provides custom synthesis services for Isolevoglucosenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.