![3-Oxatetracyclo[5.2.2.01,6.02,4]undecane structure](/static/products/1172/117221-80-4.webp)
3-Oxatetracyclo[5.2.2.01,6.02,4]undecane
TL;DR: 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane (CAS 117221-80-4) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxatetracyclo[5.2.2.01,6.02,4]undecane
Also Known As: 3-oxatetracyclo[5.2.2.01,6.02,4]undecane, hexahydro-1ah-1b,4-ethanopentaleno[1,2-b]oxirene, 2H-1b,4-Ethanopentaleno[1,2-b]oxirene, hexahydro-, (1a-alpha-,1b-bta-,4-bta-,4a-alpha-,5a-alpha-)-, 2H-1b,4-Ethanopentaleno[1,2-b]oxirene, hexahydro-, (1a-alpha-,1b-b?ta-,4-b?ta-,4a-alpha-,5a-alpha-)- (9CI), 2H-1b,4-Ethanopentaleno[1,2-b]oxirene, hexahydro-, (1a.alpha.,1b.beta.,4.beta.,4a.alpha.,5a.alpha.)-
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 117221-80-4 |
|---|---|
| SMILES | C1CC23CCC1C2CC4C3O4 |
| InChIKey | JAUNSKPQYMPJOJ-UHFFFAOYSA-N |
Product Overview
3-Oxatetracyclo[5.2.2.01,6.02,4]undecane (CAS 117221-80-4), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 3-oxatetracyclo[5.2.2.01,6.02,4]undecane.
Chemical Property Profile of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane
Property Insights of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane 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-Oxatetracyclo[5.2.2.01,6.02,4]undecane?
The CAS number of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane is 117221-80-4.
What is the molecular formula of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane?
The molecular formula of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane is C10H14O.
What is the molecular weight of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane?
The molecular weight of 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane is 150.10 g/mol.
Where can I buy 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane?
You can request a quote for 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxatetracyclo[5.2.2.01,6.02,4]undecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.