Methylcodeine
TL;DR: Methylcodeine (CAS 2859-16-7) 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.
(4S,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Methylcodeine, Dimethylmorphine, 6-Methoxycodeine, O6-Methylcodeine, Di-O-methylmorphine
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 2859-16-7 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC |
| InChIKey | HGPQAWTZLJXCTC-QBQAKCNGSA-N |
Product Overview
Methylcodeine (CAS 2859-16-7), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (4S,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of Methylcodeine
Property Insights of Methylcodeine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylcodeine. With a topological polar surface area (TPSA) of 30.9 Ų, Methylcodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylcodeine 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 Methylcodeine?
The CAS number of Methylcodeine is 2859-16-7.
What is the molecular formula of Methylcodeine?
The molecular formula of Methylcodeine is C19H23NO3.
What is the molecular weight of Methylcodeine?
The molecular weight of Methylcodeine is 313.17 g/mol.
Where can I buy Methylcodeine?
You can request a quote for Methylcodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylcodeine?
Yes, KEHONG BIO provides custom synthesis services for Methylcodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.