4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one
TL;DR: 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one (CAS 60133-51-9) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxatricyclo[4.2.1.03,7]nonan-5-one
Also Known As: hexahydro-2h-3,5-methanocyclopenta[b]furan-2-one, NCIOpen2_001752, NCIOpen2_001895, 4-oxatricyclo[4.2.1.03,7]nonan-5-one, 4-oxatricyclo[4.2.1.0,3,7]nonan-5-one
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 60133-51-9 |
|---|---|
| SMILES | C1C2CC3C1C(C2)OC3=O |
| InChIKey | ARGGOKUVIPUXPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one (CAS 60133-51-9), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 4-oxatricyclo[4.2.1.03,7]nonan-5-one.
Chemical Property Profile of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one
Property Insights of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-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 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one?
The CAS number of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one is 60133-51-9.
What is the molecular formula of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one?
The molecular formula of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one is C8H10O2.
What is the molecular weight of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one?
The molecular weight of 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one is 138.07 g/mol.
Where can I buy 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one?
You can request a quote for 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxa-tricyclo(4.2.1.0(3,7))nonan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.