3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- (CAS 1798-46-5) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Also Known As: 3-allyl-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane, 3-Allyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00466 (Beilstein Handbook Reference), 3-Allyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-ALLYL-8-PROPIONYL-
| Molecular Formula | C12H20N2O |
|---|---|
| Molecular Weight | 208.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.15756 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 1798-46-5 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CC=C |
| InChIKey | INPYZYGYRQOSMA-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- (CAS 1798-46-5), with molecular formula C12H20N2O and molecular weight 208.16 g/mol. IUPAC: 1-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-. With a topological polar surface area (TPSA) of 23.6 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- 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 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- is 1798-46-5.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- is C12H20N2O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- is 208.16 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.