5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane
TL;DR: 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane (CAS 68883-20-5) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane
Also Known As: 5,7,7-Toatn, 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane, 5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane, 6-Oxa-3-azatricyclo(3.2.2.02,4)nonane, 5,7,7-trimethyl-, 5,7,7-trimethyl-6-oxa-3-aza-tricyclo[3.2.2.02,4]nonane
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 68883-20-5 |
|---|---|
| SMILES | CC1(C2CCC(O1)(C3C2N3)C)C |
| InChIKey | XSEFYALJGRKSKS-UHFFFAOYSA-N |
Product Overview
5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane (CAS 68883-20-5), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: 5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane.
Chemical Property Profile of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane
Property Insights of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane. With a topological polar surface area (TPSA) of 31.2 Ų, 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane has 1 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 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane?
The CAS number of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane is 68883-20-5.
What is the molecular formula of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane?
The molecular formula of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane is C10H17NO.
What is the molecular weight of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane?
The molecular weight of 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane is 167.13 g/mol.
Where can I buy 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane?
You can request a quote for 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane?
Yes, KEHONG BIO provides custom synthesis services for 5,7,7-Trimethyl-6-oxa-3-azatricyclo(3.2.2.0)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.