(5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine
TL;DR: (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine (CAS 7767-86-4) is a chemical compound with molecular formula C15H26N2O3 and molecular weight 282.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
Also Known As: LK 11, KST-1A8190, (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine, (1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-(morpholin-4-yl)propanoate, [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
| Molecular Formula | C15H26N2O3 |
|---|---|
| Molecular Weight | 282.19 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.19434 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 7767-86-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)CCN3CCOCC3 |
| InChIKey | JBICFMQWCKPGRR-PBWFPOADSA-N |
Product Overview
(5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine (CAS 7767-86-4), with molecular formula C15H26N2O3 and molecular weight 282.19 g/mol. IUPAC: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate.
Chemical Property Profile of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine
Property Insights of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine. With a topological polar surface area (TPSA) of 42.0 Ų, (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine 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 (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine?
The CAS number of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine is 7767-86-4.
What is the molecular formula of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine?
The molecular formula of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine is C15H26N2O3.
What is the molecular weight of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine?
The molecular weight of (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine is 282.19 g/mol.
Where can I buy (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine?
You can request a quote for (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine?
Yes, KEHONG BIO provides custom synthesis services for (5-Nitroisoquinolin-1-yl)methylene-N-hydroxy-N'-aminoguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.