3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane
TL;DR: 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane (CAS 63992-05-2) is a chemical compound with molecular formula C13H24N2O and molecular weight 224.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Also Known As: 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00466 (Beilstein Handbook Reference), 3-Butyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane, 1-(3-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-BUTYL-8-PROPIONYL-
| Molecular Formula | C13H24N2O |
|---|---|
| Molecular Weight | 224.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.18886 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 63992-05-2 |
|---|---|
| SMILES | CCCCN1CC2CCC(C1)N2C(=O)CC |
| InChIKey | AUWINJMOPSMDNR-UHFFFAOYSA-N |
Product Overview
3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane (CAS 63992-05-2), with molecular formula C13H24N2O and molecular weight 224.19 g/mol. IUPAC: 1-(3-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one.
Chemical Property Profile of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane
Property Insights of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane. With a topological polar surface area (TPSA) of 23.6 Ų, 3-Butyl-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, 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane has 0 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 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane is 63992-05-2.
What is the molecular formula of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane is C13H24N2O.
What is the molecular weight of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane is 224.19 g/mol.
Where can I buy 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 3-Butyl-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 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.