Dihydrothebaine
TL;DR: Dihydrothebaine (CAS 561-25-1) 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,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Dihydrothebaine, 8,14-Dihydrothebaine, Thebaine, dihydro-, delta(sup 6)-Dihydrothebaine, 8,14 dihydrothebaine
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 2.5044 |
| 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 | 712.8114 |
Chemical Identifiers
| CAS Number | 561-25-1 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)OC |
Product Overview
Dihydrothebaine (CAS 561-25-1), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of Dihydrothebaine
Property Insights of Dihydrothebaine
The XLogP value of 2.5044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrothebaine. With a topological polar surface area (TPSA) of 30.93 Ų, Dihydrothebaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrothebaine 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 Dihydrothebaine?
The CAS number of Dihydrothebaine is 561-25-1.
What is the molecular formula of Dihydrothebaine?
The molecular formula of Dihydrothebaine is C19H23NO3.
What is the molecular weight of Dihydrothebaine?
The molecular weight of Dihydrothebaine is 313.17 g/mol.
Where can I buy Dihydrothebaine?
You can request a quote for Dihydrothebaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrothebaine?
Yes, KEHONG BIO provides custom synthesis services for Dihydrothebaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.