醋氢可待因
TL;DR: 醋氢可待因 (CAS 3861-72-1) 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.
醋氢可待因
[(4R,4aR,7S,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: Acetyldihydrocodeine, Dihydrothebacone, Acetylcodone, Acetyldihydrokodein, Dihydrocodeine 6-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 | 3861-72-1 |
|---|---|
| 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
醋氢可待因 (CAS 3861-72-1), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: [(4R,4aR,7S,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 醋氢可待因
Property Insights of 醋氢可待因
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 醋氢可待因. With a topological polar surface area (TPSA) of 48.0 Ų, 醋氢可待因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 醋氢可待因 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 醋氢可待因?
The CAS number of 醋氢可待因 is 3861-72-1.
What is the molecular formula of 醋氢可待因?
The molecular formula of 醋氢可待因 is C20H25NO4.
What is the molecular weight of 醋氢可待因?
The molecular weight of 醋氢可待因 is 343.18 g/mol.
Where can I buy 醋氢可待因?
You can request a quote for 醋氢可待因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋氢可待因?
Yes, KEHONG BIO provides custom synthesis services for 醋氢可待因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.