Pseudocodeine methyl ether
TL;DR: Pseudocodeine methyl ether (CAS 4912-71-4) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,5S,7aS,12bS)-5,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Pseudocodeine methyl ether, 4-27-00-02221 (Beilstein Handbook Reference), Morphinan, 6,7-didehydro-3,8-beta-dimethoxy-4,5-alpha-epoxy-17-methyl-, 3,8-Dimethoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan, 6,7-Didehydro-4,5alpha-epoxy-3,8beta-dimethoxy-17-methylmorphinan
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 2.1552 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 700.1003 |
Chemical Identifiers
| CAS Number | 4912-71-4 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C=C[C@@H]([C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC |
Product Overview
Pseudocodeine methyl ether (CAS 4912-71-4), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (4R,4aR,5S,7aS,12bS)-5,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of Pseudocodeine methyl ether
Property Insights of Pseudocodeine methyl ether
The XLogP value of 2.1552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudocodeine methyl ether. With a topological polar surface area (TPSA) of 30.93 Ų, Pseudocodeine methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudocodeine methyl ether has 0 hydrogen bond donor(s) and 4 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 Pseudocodeine methyl ether?
The CAS number of Pseudocodeine methyl ether is 4912-71-4.
What is the molecular formula of Pseudocodeine methyl ether?
The molecular formula of Pseudocodeine methyl ether is C19H23NO3.
What is the molecular weight of Pseudocodeine methyl ether?
The molecular weight of Pseudocodeine methyl ether is 313.17 g/mol.
Where can I buy Pseudocodeine methyl ether?
You can request a quote for Pseudocodeine methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudocodeine methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Pseudocodeine methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.