Methyldihydrocodeine
TL;DR: Methyldihydrocodeine (CAS 476-63-1) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Methyldihydrocodeine, Tetrahydrothebaine, Codeine, methyldihydro-, Magnoflorine Hydroxide, O-METHYLDIHYDROCODEINE
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 2.3792 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 660.25995 |
Chemical Identifiers
| CAS Number | 476-63-1 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)OC |
Product Overview
Methyldihydrocodeine (CAS 476-63-1), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of Methyldihydrocodeine
Property Insights of Methyldihydrocodeine
The XLogP value of 2.3792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyldihydrocodeine. With a topological polar surface area (TPSA) of 30.93 Ų, Methyldihydrocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyldihydrocodeine 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 Methyldihydrocodeine?
The CAS number of Methyldihydrocodeine is 476-63-1.
What is the molecular formula of Methyldihydrocodeine?
The molecular formula of Methyldihydrocodeine is C19H25NO3.
What is the molecular weight of Methyldihydrocodeine?
The molecular weight of Methyldihydrocodeine is 315.18 g/mol.
Where can I buy Methyldihydrocodeine?
You can request a quote for Methyldihydrocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyldihydrocodeine?
Yes, KEHONG BIO provides custom synthesis services for Methyldihydrocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.