3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl- (CAS 63990-48-7) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-phenylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: 3-Phenethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00469 (Beilstein Handbook Reference), 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-, 3-Phenethyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane, 1-[3-(2-phenylethyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]propan-1-one
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 63990-48-7 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CCC3=CC=CC=C3 |
| InChIKey | YBZJPJLESWJLTK-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl- (CAS 63990-48-7), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: 1-[3-(2-phenylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-. With a topological polar surface area (TPSA) of 23.6 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-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-phenethyl-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-phenethyl-8-propionyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl- is 63990-48-7.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl- is C17H24N2O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl- is 272.19 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-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-phenethyl-8-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-phenethyl-8-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.