8-Propionyl-3,8-diazabicyclo(3.2.1)octane
TL;DR: 8-Propionyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-63-3) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,7-diazabicyclo[3.2.1]octan-7-yl)propan-1-one
Also Known As: 8-Propionyl-3,8-diazabicyclo(3.2.1)octane, KST-1B5968, 3,8-Diazabicyclo(3.2.1)octane, 8-propionyl-, 1-(2,7-diazabicyclo[3.2.1]oct-7-yl)propan-1-one, 1-(2,7-Diazabicyclo[3.2.1]octan-7-yl)propan-1-one
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 57269-63-3 |
|---|---|
| SMILES | CCC(=O)N1CC2CCNC1C2 |
| InChIKey | WBIVDDQUIOYQLE-UHFFFAOYSA-N |
Product Overview
8-Propionyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-63-3), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: 1-(2,7-diazabicyclo[3.2.1]octan-7-yl)propan-1-one.
Chemical Property Profile of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane
Property Insights of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane. With a topological polar surface area (TPSA) of 32.3 Ų, 8-Propionyl-3,8-diazabicyclo(3.2.1)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Propionyl-3,8-diazabicyclo(3.2.1)octane 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 8-Propionyl-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane is 57269-63-3.
What is the molecular formula of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane is C9H16N2O.
What is the molecular weight of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane is 168.13 g/mol.
Where can I buy 8-Propionyl-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.