8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride
TL;DR: 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride (CAS 1794-43-0) is a chemical compound with molecular formula C21H31ClN2O4 and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;hydrochloride
Also Known As: 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride, 3,8-Diazabicyclo(3.2.1)octane, 8-propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-, hydrochloride, 1-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one hydrochloride, 3,8-Diazabicyclo[3.2.1]octane, 8-propionyl-3-(3,4,5-tri-methoxycinnamyl-, monohydrochloride, RefChem:1066214
| Molecular Formula | C21H31ClN2O4 |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 3.2326 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.19724 |
| Heavy Atoms | 28 |
| Complexity | 670.6412 |
Chemical Identifiers
| CAS Number | 1794-43-0 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC(=C(C(=C3)OC)OC)OC.Cl |
Product Overview
8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride (CAS 1794-43-0), with molecular formula C21H31ClN2O4 and molecular weight 410.20 g/mol. IUPAC: 1-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;hydrochloride.
Chemical Property Profile of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride
Property Insights of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride
The XLogP value of 3.2326 indicates that 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride has 0 hydrogen bond donor(s) and 5 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-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride?
The CAS number of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride is 1794-43-0.
What is the molecular formula of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride?
The molecular formula of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride is C21H31ClN2O4.
What is the molecular weight of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride?
The molecular weight of 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride is 410.20 g/mol.
Where can I buy 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride?
You can request a quote for 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride 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-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.