Knightinol acetate
TL;DR: Knightinol acetate (CAS 77053-07-7) is a chemical compound with molecular formula C19H25NO4 and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3S,5S)-2-[(R)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
Also Known As: Knightinol acetate, Acetylknightinol, O-Acetylknightinol, 1,3-Cyclohexanedione, 5-phenyl-2-(phenylacetyl)-, [(1R,2S,3S,5S)-2-[(R)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
| Molecular Formula | C19H25NO4 |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.17834 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 77053-07-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@H]([C@@H]1[C@H](C3=CC=CC=C3)OC(=O)C)N2C |
| InChIKey | HREZYWBVKYGIRM-PJVZLEMVSA-N |
Product Overview
Knightinol acetate (CAS 77053-07-7), with molecular formula C19H25NO4 and molecular weight 331.18 g/mol. IUPAC: [(1R,2S,3S,5S)-2-[(R)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate.
Chemical Property Profile of Knightinol acetate
Property Insights of Knightinol acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Knightinol acetate. With a topological polar surface area (TPSA) of 55.8 Ų, Knightinol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Knightinol acetate 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 Knightinol acetate?
The CAS number of Knightinol acetate is 77053-07-7.
What is the molecular formula of Knightinol acetate?
The molecular formula of Knightinol acetate is C19H25NO4.
What is the molecular weight of Knightinol acetate?
The molecular weight of Knightinol acetate is 331.18 g/mol.
Where can I buy Knightinol acetate?
You can request a quote for Knightinol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Knightinol acetate?
Yes, KEHONG BIO provides custom synthesis services for Knightinol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.