![8-Oxabicyclo[3.2.1]oct-6-en-3-one structure](/static/products/4045/40458-77-3.webp)
8-Oxabicyclo[3.2.1]oct-6-en-3-one
TL;DR: 8-Oxabicyclo[3.2.1]oct-6-en-3-one (CAS 40458-77-3) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxabicyclo[3.2.1]oct-6-en-3-one
Also Known As: 8-Oxabicyclo[3.2.1]oct-6-en-3-one, 8-oxa-bicyclo[3.2.1]oct-6-en-3-one, 3-Oxo-8-oxabicyclo[3.2.1]oct-6-ene, 8-Oxabicyclo(3.2.1)oct-6-en-3-one, 8-Oxabicyclo[3.2.1]octane-6-ene-3-one
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 40458-77-3 |
|---|---|
| SMILES | C1C2C=CC(O2)CC1=O |
| InChIKey | DJXYBPVHUSVRLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Oxabicyclo[3.2.1]oct-6-en-3-one (CAS 40458-77-3), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: 8-oxabicyclo[3.2.1]oct-6-en-3-one.
Chemical Property Profile of 8-Oxabicyclo[3.2.1]oct-6-en-3-one
Property Insights of 8-Oxabicyclo[3.2.1]oct-6-en-3-one
The XLogP value of -0.2 indicates that 8-Oxabicyclo[3.2.1]oct-6-en-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 8-Oxabicyclo[3.2.1]oct-6-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Oxabicyclo[3.2.1]oct-6-en-3-one has 0 hydrogen bond donor(s) and 2 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 8-Oxabicyclo[3.2.1]oct-6-en-3-one?
The CAS number of 8-Oxabicyclo[3.2.1]oct-6-en-3-one is 40458-77-3.
What is the molecular formula of 8-Oxabicyclo[3.2.1]oct-6-en-3-one?
The molecular formula of 8-Oxabicyclo[3.2.1]oct-6-en-3-one is C7H8O2.
What is the molecular weight of 8-Oxabicyclo[3.2.1]oct-6-en-3-one?
The molecular weight of 8-Oxabicyclo[3.2.1]oct-6-en-3-one is 124.05 g/mol.
Where can I buy 8-Oxabicyclo[3.2.1]oct-6-en-3-one?
You can request a quote for 8-Oxabicyclo[3.2.1]oct-6-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Oxabicyclo[3.2.1]oct-6-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Oxabicyclo[3.2.1]oct-6-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.