Acetylallopseudocodeine
TL;DR: Acetylallopseudocodeine (CAS 63732-60-5) 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,5R,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate
Also Known As: Acetylallopseudocodeine, Allopseudocodeine, acetyl-, Allopseudocodeine,acetyl, Allopseudocodeine acetate hydrochloride, Morphinan-8-alpha-ol, 6,7-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, 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 | 63732-60-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=C[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)OC)O2)N(CC4)C |
Product Overview
Acetylallopseudocodeine (CAS 63732-60-5), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: [(4R,4aR,5R,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate.
Chemical Property Profile of Acetylallopseudocodeine
Property Insights of Acetylallopseudocodeine
The XLogP value of 2.0719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylallopseudocodeine. With a topological polar surface area (TPSA) of 48.0 Ų, Acetylallopseudocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylallopseudocodeine 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 Acetylallopseudocodeine?
The CAS number of Acetylallopseudocodeine is 63732-60-5.
What is the molecular formula of Acetylallopseudocodeine?
The molecular formula of Acetylallopseudocodeine is C20H23NO4.
What is the molecular weight of Acetylallopseudocodeine?
The molecular weight of Acetylallopseudocodeine is 341.16 g/mol.
Where can I buy Acetylallopseudocodeine?
You can request a quote for Acetylallopseudocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylallopseudocodeine?
Yes, KEHONG BIO provides custom synthesis services for Acetylallopseudocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.