RefChem:1066178
TL;DR: RefChem:1066178 (CAS 2016-80-0) is a chemical compound with molecular formula C22H28Cl2N2O and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-3-naphthalen-1-ylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;dihydrochloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(alpha-naphthyl)allyl)-8-propionyl-, dihydrochloride, 3-(3-(alpha-Naphthyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride, 3,8-Diazabicyclo[3.2.1]octane, 3-[3-(1-naphthyl)allyl]-8-propionyl-, dihydrochloride, 1-[3-[(E)-3-naphthalen-1-ylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one dihydrochloride, RefChem:1066178
| Molecular Formula | C22H28Cl2N2O |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 4.7818 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.15787 |
| Heavy Atoms | 27 |
| Complexity | 788.5043 |
Chemical Identifiers
| CAS Number | 2016-80-0 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=CC4=CC=CC=C43.Cl.Cl |
Product Overview
RefChem:1066178 (CAS 2016-80-0), with molecular formula C22H28Cl2N2O and molecular weight 406.16 g/mol. IUPAC: 1-[3-[(E)-3-naphthalen-1-ylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:1066178
Property Insights of RefChem:1066178
The XLogP value of 4.7818 indicates that RefChem:1066178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:1066178 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066178 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 RefChem:1066178?
The CAS number of RefChem:1066178 is 2016-80-0.
What is the molecular formula of RefChem:1066178?
The molecular formula of RefChem:1066178 is C22H28Cl2N2O.
What is the molecular weight of RefChem:1066178?
The molecular weight of RefChem:1066178 is 406.16 g/mol.
Where can I buy RefChem:1066178?
You can request a quote for RefChem:1066178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066178?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.