3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride (CAS 448-33-9) is a chemical compound with molecular formula C18H24ClN3O3 and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride, 3-(3-(o-Nitrophenyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride, 1-[3-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one hydrochloride, RefChem:1066183
| Molecular Formula | C18H24ClN3O3 |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 2.9725 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1506 |
| Heavy Atoms | 25 |
| Complexity | 664.7213 |
Chemical Identifiers
| CAS Number | 448-33-9 |
|---|---|
| SMILES | CCC(=O)N1CC2CC1CN(C2)C/C=C/C3=CC=CC=C3[N+](=O)[O-].Cl |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride (CAS 448-33-9), with molecular formula C18H24ClN3O3 and molecular weight 365.15 g/mol. IUPAC: 1-[3-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride
The XLogP value of 2.9725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride has 0 hydrogen bond donor(s) and 4 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-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride is 448-33-9.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride is C18H24ClN3O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride is 365.15 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride 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-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.