3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- (CAS 63978-14-3) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)phenyl]acetic acid
Also Known As: Poly(2-azaadenylic acid), KST-1B6989, 3-((alpha-Carboxy)-p-toluoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-, {4-[(8-methyl-3,8-diazabicyclo[3.2.1]oct-3-yl)carbonyl]phenyl}acetic acid
Technical Specifications
| Molecular Formula | C16H20N2O3 |
| Molecular Weight | 288.1474 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.1474 Da |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
| SMILES | CN1C2CCC1CN(C2)C(=O)C3=CC=C(C=C3)CC(=O)O |
| InChIKey | YWZJREHAYVHVRF-UHFFFAOYSA-N |
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-
The XLogP value of -1.0 indicates that 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- has 1 hydrogen bond donor(s) and 4 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-((alpha-carboxy)-p-toluoyl)-8-methyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- is 63978-14-3.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- is C16H20N2O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- is 288.1474 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- 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-((alpha-carboxy)-p-toluoyl)-8-methyl-?
Yes, CoreyChem provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-((alpha-carboxy)-p-toluoyl)-8-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.