3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)
TL;DR: 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) (CAS 63978-08-5) is a chemical compound with molecular formula C16H23N3O2 and molecular weight 289.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 4-aminobenzoate
Also Known As: 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester), 8-Methyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester), 2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 4-aminobenzoate, 2-(8-methyl-3,8-diazabicyclo[3.2.1]oct-3-yl)ethyl 4-aminobenzoate, 8-Methyl-3,8-diazabicyclo[3.2.1]octane-3-ethanol p-aminobenzoate
Technical Specifications
| Molecular Formula | C16H23N3O2 |
| Molecular Weight | 289.17902 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.17902 Da |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
| SMILES | CN1C2CCC1CN(C2)CCOC(=O)C3=CC=C(C=C3)N |
| InChIKey | ZAEBUEMQCGDBRC-UHFFFAOYSA-N |
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)
Property Insights of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester). With a topological polar surface area (TPSA) of 58.8 Ų, 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) is 63978-08-5.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) is C16H23N3O2.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) is 289.17902 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester)?
Yes, CoreyChem provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-methyl-, p-aminobenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.