6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride
TL;DR: 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride (CAS 84509-16-0) is a chemical compound with molecular formula C11H13ClN2O4 and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
Also Known As: 5-(4-Nitrophenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane monohydrochloride, diethyl2-(6-chloropyridazin-3-yl)malonate, 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride, 1- -7,8-dioxa-3-azabicyclo[3.2.1]octanehydrochloride, 5-(4-nitrophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane hydrochloride
| Molecular Formula | C11H13ClN2O4 |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.188 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0564 |
| Heavy Atoms | 18 |
| Complexity | 448.86136 |
Chemical Identifiers
| CAS Number | 84509-16-0 |
|---|---|
| SMILES | C1C2COC(O2)(CN1)C3=CC=C(C=C3)[N+](=O)[O-].Cl |
Product Overview
6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride (CAS 84509-16-0), with molecular formula C11H13ClN2O4 and molecular weight 272.06 g/mol. IUPAC: 5-(4-nitrophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride.
Chemical Property Profile of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride
Property Insights of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride
The XLogP value of 1.188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride. Following Lipinski's Rule of Five, 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride has 1 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 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride?
The CAS number of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride is 84509-16-0.
What is the molecular formula of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride?
The molecular formula of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride is C11H13ClN2O4.
What is the molecular weight of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride?
The molecular weight of 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride is 272.06 g/mol.
Where can I buy 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride?
You can request a quote for 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-nitrophenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.