![5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile structure](/static/products/3605/360573-28-0.webp)
5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
TL;DR: 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile (CAS 360573-28-0) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Also Known As: ChemDiv2_002134, 5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile, A2316/0097706, 1-hydroxy-6-oxo-3-propyl-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile, 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo(3.2.1)octane-1,2,2-tricarbonitrile
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 360573-28-0 |
|---|---|
| SMILES | CCCC1CC2(CC(C1(C#N)C#N)(C(=O)N2)C#N)O |
| InChIKey | VNMZDLQMJGAUBM-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile (CAS 360573-28-0), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: 5-hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile.
Chemical Property Profile of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Property Insights of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile. Following Lipinski's Rule of Five, 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile has 2 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 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The CAS number of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is 360573-28-0.
What is the molecular formula of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The molecular formula of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is C13H14N4O2.
What is the molecular weight of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
The molecular weight of 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile is 258.11 g/mol.
Where can I buy 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
You can request a quote for 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-7-oxo-3-propyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.