14-Hydroxycodeinone
TL;DR: 14-Hydroxycodeinone (CAS 508-54-3) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: 14-Hydroxycodeinone, Hydroxycodeinone, CODEINONE, 14-HYDROXY-, 4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 508-54-3 |
|---|---|
| SMILES | CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)O |
| InChIKey | YYCRAERBSFHMPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
14-Hydroxycodeinone (CAS 508-54-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of 14-Hydroxycodeinone
Property Insights of 14-Hydroxycodeinone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Hydroxycodeinone. With a topological polar surface area (TPSA) of 59.0 Ų, 14-Hydroxycodeinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-Hydroxycodeinone has 1 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 14-Hydroxycodeinone?
The CAS number of 14-Hydroxycodeinone is 508-54-3.
What is the molecular formula of 14-Hydroxycodeinone?
The molecular formula of 14-Hydroxycodeinone is C18H19NO4.
What is the molecular weight of 14-Hydroxycodeinone?
The molecular weight of 14-Hydroxycodeinone is 313.13 g/mol.
Where can I buy 14-Hydroxycodeinone?
You can request a quote for 14-Hydroxycodeinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxycodeinone?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxycodeinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.