Knightinol
TL;DR: Knightinol (CAS 77053-06-6) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3R,5S)-2-[(R)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
Also Known As: Knightinol, [(1R,2R,3R,5S)-2-[(R)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate, 8-Azabicyclo(3.2.1)octane-2-methanol, 3-(acetyloxy)-8-methyl-alpha-phenyl-, (alphaR,1R,2R,3R,5S)-, 3-Acetoxy-8-methyl-alpha-phenyl-8-azabicyclo[3.2.1]octane-2-methanol, [(2r,3r)-2-(hydroxy-phenylmethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 77053-06-6 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2CC[C@H]([C@@H]1[C@H](C3=CC=CC=C3)O)N2C |
| InChIKey | RNAIYSUVIULACI-BIVLZKPYSA-N |
Product Overview
Knightinol (CAS 77053-06-6), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: [(1R,2R,3R,5S)-2-[(R)-hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate.
Chemical Property Profile of Knightinol
Property Insights of Knightinol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Knightinol. With a topological polar surface area (TPSA) of 49.8 Ų, Knightinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Knightinol has 1 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 Knightinol?
The CAS number of Knightinol is 77053-06-6.
What is the molecular formula of Knightinol?
The molecular formula of Knightinol is C17H23NO3.
What is the molecular weight of Knightinol?
The molecular weight of Knightinol is 289.17 g/mol.
Where can I buy Knightinol?
You can request a quote for Knightinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Knightinol?
Yes, KEHONG BIO provides custom synthesis services for Knightinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.