14-Hydroxycodeinone phenylacetate
TL;DR: 14-Hydroxycodeinone phenylacetate (CAS 750-54-9) is a chemical compound with molecular formula C26H25NO5 and molecular weight 431.17 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] 2-phenylacetate
Also Known As: 14-hydroxycodeinone phenylacetate, Codeinone, 14-hydroxy-, phenylacetate, Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, phenylacetate (ester), 3-Methoxy-17-methyl-6-oxo-5alpha-7,8-didehydro-4,5-epoxymorphinan-14-yl phenylacetate, RefChem:236568
| Molecular Formula | C26H25NO5 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 2.6178 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.17328 |
| Heavy Atoms | 32 |
| Complexity | 1158.3073 |
Chemical Identifiers
| CAS Number | 750-54-9 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)CC6=CC=CC=C6 |
Product Overview
14-Hydroxycodeinone phenylacetate (CAS 750-54-9), with molecular formula C26H25NO5 and molecular weight 431.17 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] 2-phenylacetate.
Chemical Property Profile of 14-Hydroxycodeinone phenylacetate
Property Insights of 14-Hydroxycodeinone phenylacetate
The XLogP value of 2.6178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Hydroxycodeinone phenylacetate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxycodeinone phenylacetate. Following Lipinski's Rule of Five, 14-Hydroxycodeinone phenylacetate 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 14-Hydroxycodeinone phenylacetate?
The CAS number of 14-Hydroxycodeinone phenylacetate is 750-54-9.
What is the molecular formula of 14-Hydroxycodeinone phenylacetate?
The molecular formula of 14-Hydroxycodeinone phenylacetate is C26H25NO5.
What is the molecular weight of 14-Hydroxycodeinone phenylacetate?
The molecular weight of 14-Hydroxycodeinone phenylacetate is 431.17 g/mol.
Where can I buy 14-Hydroxycodeinone phenylacetate?
You can request a quote for 14-Hydroxycodeinone phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxycodeinone phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxycodeinone phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.