3-Oxaquadricyclane
TL;DR: 3-Oxaquadricyclane (CAS 16151-91-0) is a chemical compound with molecular formula C6H6O and molecular weight 94.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxatetracyclo[3.2.0.02,7.04,6]heptane
Also Known As: 3-oxaquadricyclane, 3-Oxatetracyclo(3.2.0.02,7.04,6)heptan, J2.911.562A, 3-Oxatetracyclo[3.2.0.02,7.04,6]heptane, 7-Oxatetracyclo[2.2.1.02,6.03,5]heptane
| Molecular Formula | C6H6O |
|---|---|
| Molecular Weight | 94.04 g/mol |
| LogP | 0.2594 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.04186 |
| Heavy Atoms | 7 |
| Complexity | 104.25999 |
Chemical Identifiers
| CAS Number | 16151-91-0 |
|---|---|
| SMILES | C12C3C1OC4C2C34 |
Product Overview
3-Oxaquadricyclane (CAS 16151-91-0), with molecular formula C6H6O and molecular weight 94.04 g/mol. IUPAC: 3-oxatetracyclo[3.2.0.02,7.04,6]heptane.
Chemical Property Profile of 3-Oxaquadricyclane
Property Insights of 3-Oxaquadricyclane
The XLogP value of 0.2594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxaquadricyclane. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Oxaquadricyclane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxaquadricyclane has 0 hydrogen bond donor(s) and 1 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-Oxaquadricyclane?
The CAS number of 3-Oxaquadricyclane is 16151-91-0.
What is the molecular formula of 3-Oxaquadricyclane?
The molecular formula of 3-Oxaquadricyclane is C6H6O.
What is the molecular weight of 3-Oxaquadricyclane?
The molecular weight of 3-Oxaquadricyclane is 94.04 g/mol.
Where can I buy 3-Oxaquadricyclane?
You can request a quote for 3-Oxaquadricyclane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxaquadricyclane?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxaquadricyclane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.