Acetylcodeine
TL;DR: Acetylcodeine (CAS 6703-27-1) 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.
[(4S,4aR,7S,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: Acetylcodeine, O-Acetylcodeine, 6-Acetylcodeine, Codeine 6-Acetate, 6-O-Acetyl Codeine
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 6703-27-1 |
|---|---|
| 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 |
| InChIKey | MFXFQKMUCYHPFQ-OLOWNEEMSA-N |
Product Overview
Acetylcodeine (CAS 6703-27-1), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: [(4S,4aR,7S,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 Acetylcodeine
Property Insights of Acetylcodeine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylcodeine. With a topological polar surface area (TPSA) of 48.0 Ų, Acetylcodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylcodeine 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 Acetylcodeine?
The CAS number of Acetylcodeine is 6703-27-1.
What is the molecular formula of Acetylcodeine?
The molecular formula of Acetylcodeine is C20H23NO4.
What is the molecular weight of Acetylcodeine?
The molecular weight of Acetylcodeine is 341.16 g/mol.
Where can I buy Acetylcodeine?
You can request a quote for Acetylcodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylcodeine?
Yes, KEHONG BIO provides custom synthesis services for Acetylcodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.