3-Oxabicyclo(3.2.0)heptane-2,4-dione
TL;DR: 3-Oxabicyclo(3.2.0)heptane-2,4-dione (CAS 446252-24-0) 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.
3-oxabicyclo[3.2.0]heptane-2,4-dione
Also Known As: 3-Oxabicyclo[3.2.0]heptane-2,4-dione, Perhydrocyclobuta[c]furan-1,3-dione, Cyclobutane-1,2-dicarboxylic anhydride, 1,2-cyclobutanedicarboxylic anhydride, Cyclobutane-1,2-dicarboxylicanhydride
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 446252-24-0 |
|---|---|
| SMILES | C1CC2C1C(=O)OC2=O |
| InChIKey | NMNZZIMBGSGRPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxabicyclo(3.2.0)heptane-2,4-dione (CAS 446252-24-0), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 3-oxabicyclo[3.2.0]heptane-2,4-dione.
Chemical Property Profile of 3-Oxabicyclo(3.2.0)heptane-2,4-dione
Property Insights of 3-Oxabicyclo(3.2.0)heptane-2,4-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxabicyclo(3.2.0)heptane-2,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Oxabicyclo(3.2.0)heptane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxabicyclo(3.2.0)heptane-2,4-dione 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 3-Oxabicyclo(3.2.0)heptane-2,4-dione?
The CAS number of 3-Oxabicyclo(3.2.0)heptane-2,4-dione is 446252-24-0.
What is the molecular formula of 3-Oxabicyclo(3.2.0)heptane-2,4-dione?
The molecular formula of 3-Oxabicyclo(3.2.0)heptane-2,4-dione is C6H6O3.
What is the molecular weight of 3-Oxabicyclo(3.2.0)heptane-2,4-dione?
The molecular weight of 3-Oxabicyclo(3.2.0)heptane-2,4-dione is 126.03 g/mol.
Where can I buy 3-Oxabicyclo(3.2.0)heptane-2,4-dione?
You can request a quote for 3-Oxabicyclo(3.2.0)heptane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxabicyclo(3.2.0)heptane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxabicyclo(3.2.0)heptane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.