![2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane structure](/static/products/6972/697230-45-8.webp)
2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
TL;DR: 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 697230-45-8) is a chemical compound with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: BAS 07296979, A3615/0153255, 2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane, 2-(benzo[d][1,3]dioxol-5-yl)-5,7-dimethyl-1,3-diazaadamantane, (1R,3S,5r,7r)-2-(benzo[d][1,3]dioxol-5-yl)-5,7-dimethyl-1,3-diazaadamantane [M+H]+
| Molecular Formula | C17H22N2O2 |
|---|---|
| Molecular Weight | 286.17 g/mol |
| LogP | 2.4614 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.16812 |
| Heavy Atoms | 21 |
| Complexity | 578.80774 |
Chemical Identifiers
| CAS Number | 697230-45-8 |
|---|---|
| SMILES | CC12CC3(CN(C1)C(N(C2)C3)C4=CC5=C(C=C4)OCO5)C |
Product Overview
2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane (CAS 697230-45-8), with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Property Insights of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
The XLogP value of 2.4614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane. With a topological polar surface area (TPSA) of 24.94 Ų, 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane has 0 hydrogen bond donor(s) and 4 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 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 697230-45-8.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is C17H22N2O2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane is 286.17 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.