3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- (CAS 59038-07-2) is a chemical compound with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-3-(2-chlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: 5-23-03-00470 (Beilstein Handbook Reference), 3-(o-Chlorocinnamyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(o-CHLOROCINNAMYL)-8-PROPIONYL-, 1-[3-[(E)-3-(2-chlorophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one, 3-[3-(o-Chlorophenyl)allyl]-8-propionyl-3,8-diazabicyclo[3.2.1]octane
| Molecular Formula | C18H23ClN2O |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 3.4384 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1499 |
| Heavy Atoms | 22 |
| Complexity | 557.9605 |
Chemical Identifiers
| CAS Number | 59038-07-2 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3Cl |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- (CAS 59038-07-2), with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol. IUPAC: 1-[3-[(E)-3-(2-chlorophenyl)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-(o-chlorocinnamyl)-8-propionyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-
The XLogP value of 3.4384 indicates that 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-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-(o-chlorocinnamyl)-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-(o-chlorocinnamyl)-8-propionyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- is 59038-07-2.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- is C18H23ClN2O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- is 318.15 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-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-(o-chlorocinnamyl)-8-propionyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-(o-chlorocinnamyl)-8-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.