Acetylisocodeine
TL;DR: Acetylisocodeine (CAS 63783-54-0) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Also Known As: Acetylisocodeine, Isocodeine, acetyl-, Acetylcodeine, Isocodeine,acetyl, Isocodeine acetate
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 2.0719 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 788.146 |
Chemical Identifiers
| CAS Number | 63783-54-0 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C |
Product Overview
Acetylisocodeine (CAS 63783-54-0), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: [(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate.
Chemical Property Profile of Acetylisocodeine
Property Insights of Acetylisocodeine
The XLogP value of 2.0719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylisocodeine. With a topological polar surface area (TPSA) of 48.0 Ų, Acetylisocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylisocodeine 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 Acetylisocodeine?
The CAS number of Acetylisocodeine is 63783-54-0.
What is the molecular formula of Acetylisocodeine?
The molecular formula of Acetylisocodeine is C20H23NO4.
What is the molecular weight of Acetylisocodeine?
The molecular weight of Acetylisocodeine is 341.16 g/mol.
Where can I buy Acetylisocodeine?
You can request a quote for Acetylisocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylisocodeine?
Yes, KEHONG BIO provides custom synthesis services for Acetylisocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.