![4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal structure](/static/products/6397/63978-13-2.webp)
4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
TL;DR: 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal (CAS 63978-13-2) is a chemical compound with molecular formula C11H20N2O and molecular weight 196.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
Also Known As: 4-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal, 8-Butyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00461 (Beilstein Handbook Reference), 3,8-DIAZABICYCLO(3.2.1)OCTANE, 8-BUTYRYL-3-METHYL-, 4-Amino-benzoic acid 2-(8-methyl-3,8-diaza-bicyclo[3.2.1]oct-3-yl)-ethyl ester
Technical Specifications
| Molecular Formula | C11H20N2O |
| Molecular Weight | 196.15756 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.15756 Da |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| SMILES | CN1CC2CCC(C1)N2CCCC=O |
| InChIKey | QBIRHXLZDJKXRU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
Property Insights of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal. With a topological polar surface area (TPSA) of 23.6 Ų, 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal?
The CAS number of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal is 63978-13-2.
What is the molecular formula of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal?
The molecular formula of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal is C11H20N2O.
What is the molecular weight of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal?
The molecular weight of 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal is 196.15756 g/mol.
Where can I buy 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal?
You can request a quote for 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal?
Yes, CoreyChem provides custom synthesis services for 4-(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.