Acetyldihydroisocodeine
TL;DR: Acetyldihydroisocodeine (CAS 33049-64-8) 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,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Also Known As: Acetyldihydroisocodeine, Isocodeine, acetyldihydro-, Isocodeine,acetyldihydro, DEA No. 9051, Morphinan-6-beta-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, 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 | 33049-64-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C |
Product Overview
Acetyldihydroisocodeine (CAS 33049-64-8), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: [(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate.
Chemical Property Profile of Acetyldihydroisocodeine
Property Insights of Acetyldihydroisocodeine
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyldihydroisocodeine. With a topological polar surface area (TPSA) of 48.0 Ų, Acetyldihydroisocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyldihydroisocodeine 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 Acetyldihydroisocodeine?
The CAS number of Acetyldihydroisocodeine is 33049-64-8.
What is the molecular formula of Acetyldihydroisocodeine?
The molecular formula of Acetyldihydroisocodeine is C20H25NO4.
What is the molecular weight of Acetyldihydroisocodeine?
The molecular weight of Acetyldihydroisocodeine is 343.18 g/mol.
Where can I buy Acetyldihydroisocodeine?
You can request a quote for Acetyldihydroisocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldihydroisocodeine?
Yes, KEHONG BIO provides custom synthesis services for Acetyldihydroisocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.