Acetylhydroxycodeinone
TL;DR: Acetylhydroxycodeinone (CAS 978-76-7) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate
Also Known As: Acetylhydroxycodeinone, Codeinone, acetylhydroxy-, Codeinone, 14-hydroxy-, acetate, Morphinan-6-one, 14-(acetyloxy)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha)-, Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, acetate (ester)
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 1.395 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 877.1977 |
Chemical Identifiers
| CAS Number | 978-76-7 |
|---|---|
| SMILES | CC(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C |
Product Overview
Acetylhydroxycodeinone (CAS 978-76-7), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate.
Chemical Property Profile of Acetylhydroxycodeinone
Property Insights of Acetylhydroxycodeinone
The XLogP value of 1.395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylhydroxycodeinone. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylhydroxycodeinone. Following Lipinski's Rule of Five, Acetylhydroxycodeinone has 0 hydrogen bond donor(s) and 6 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 Acetylhydroxycodeinone?
The CAS number of Acetylhydroxycodeinone is 978-76-7.
What is the molecular formula of Acetylhydroxycodeinone?
The molecular formula of Acetylhydroxycodeinone is C20H21NO5.
What is the molecular weight of Acetylhydroxycodeinone?
The molecular weight of Acetylhydroxycodeinone is 355.14 g/mol.
Where can I buy Acetylhydroxycodeinone?
You can request a quote for Acetylhydroxycodeinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylhydroxycodeinone?
Yes, KEHONG BIO provides custom synthesis services for Acetylhydroxycodeinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.