Acetylcodeine phosphate
TL;DR: Acetylcodeine phosphate (CAS 73036-41-6) is a chemical compound with molecular formula C20H26NO8P and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,7S,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;phosphoric acid
Also Known As: Acetylcodeine phosphate, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha,6alpha)-, phosphate (1:1) (salt), Phosphoric acid--3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate (1/1), Phosphoric acid--3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6alpha-yl acetate (1/1)
| Molecular Formula | C20H26NO8P |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 1.1433 |
| Topological Polar Surface Area | 125.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.13962 |
| Heavy Atoms | 30 |
| Complexity | 934.71466 |
Chemical Identifiers
| CAS Number | 73036-41-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2(C1OC5=C(C=C4)OC)CCN3C.OP(=O)(O)O |
Product Overview
Acetylcodeine phosphate (CAS 73036-41-6), with molecular formula C20H26NO8P and molecular weight 439.14 g/mol. IUPAC: [(4R,4aR,7S,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;phosphoric acid.
Chemical Property Profile of Acetylcodeine phosphate
Property Insights of Acetylcodeine phosphate
The XLogP value of 1.1433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylcodeine phosphate. The TPSA of 125.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylcodeine phosphate. Following Lipinski's Rule of Five, Acetylcodeine phosphate has 3 hydrogen bond donor(s) and 6 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 phosphate?
The CAS number of Acetylcodeine phosphate is 73036-41-6.
What is the molecular formula of Acetylcodeine phosphate?
The molecular formula of Acetylcodeine phosphate is C20H26NO8P.
What is the molecular weight of Acetylcodeine phosphate?
The molecular weight of Acetylcodeine phosphate is 439.14 g/mol.
Where can I buy Acetylcodeine phosphate?
You can request a quote for Acetylcodeine phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylcodeine phosphate?
Yes, KEHONG BIO provides custom synthesis services for Acetylcodeine phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.