Acetyldihydroallopseudocodeine
TL;DR: Acetyldihydroallopseudocodeine (CAS 63783-56-2) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.18 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,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate
Also Known As: Acetyldihydroallopseudocodeine, Allopseudocodeine, acetyldihydro-, Pseudocodeine, acetyldihydro-, Morphinan-8-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate, 3-Methoxy-17-methyl-5alpha-4,5-epoxymorphinan-8alpha-yl acetate
| Molecular Formula | C20H25NO4 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 2.2959 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.17834 |
| Heavy Atoms | 25 |
| Complexity | 747.45685 |
Chemical Identifiers
| CAS Number | 63783-56-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CC[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)OC)O2)N(CC4)C |
Product Overview
Acetyldihydroallopseudocodeine (CAS 63783-56-2), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: [(4R,4aR,5R,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate.
Chemical Property Profile of Acetyldihydroallopseudocodeine
Property Insights of Acetyldihydroallopseudocodeine
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyldihydroallopseudocodeine. With a topological polar surface area (TPSA) of 48.0 Ų, Acetyldihydroallopseudocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyldihydroallopseudocodeine 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 Acetyldihydroallopseudocodeine?
The CAS number of Acetyldihydroallopseudocodeine is 63783-56-2.
What is the molecular formula of Acetyldihydroallopseudocodeine?
The molecular formula of Acetyldihydroallopseudocodeine is C20H25NO4.
What is the molecular weight of Acetyldihydroallopseudocodeine?
The molecular weight of Acetyldihydroallopseudocodeine is 343.18 g/mol.
Where can I buy Acetyldihydroallopseudocodeine?
You can request a quote for Acetyldihydroallopseudocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldihydroallopseudocodeine?
Yes, KEHONG BIO provides custom synthesis services for Acetyldihydroallopseudocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.