Phi-dihydrothebaine
TL;DR: Phi-dihydrothebaine (CAS 6878-93-9) 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.
(1S,9R)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-3-ol
Also Known As: Phi-dihydrothebaine, Dihydrothebaine PHI, 2-21-00-00167 (Beilstein Handbook Reference), 5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methylmorphinan-4-ol, Morphinan-4-ol, 5,6,8,14-tetradehydro-3,6-dimethoxy-17-methyl-
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 2.7592 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 721.57007 |
Chemical Identifiers
| CAS Number | 6878-93-9 |
|---|---|
| SMILES | CN1CC[C@]23C=C(CC=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC |
Product Overview
Phi-dihydrothebaine (CAS 6878-93-9), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: (1S,9R)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-3-ol.
Chemical Property Profile of Phi-dihydrothebaine
Property Insights of Phi-dihydrothebaine
The XLogP value of 2.7592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phi-dihydrothebaine. With a topological polar surface area (TPSA) of 41.93 Ų, Phi-dihydrothebaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phi-dihydrothebaine has 1 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 Phi-dihydrothebaine?
The CAS number of Phi-dihydrothebaine is 6878-93-9.
What is the molecular formula of Phi-dihydrothebaine?
The molecular formula of Phi-dihydrothebaine is C19H23NO3.
What is the molecular weight of Phi-dihydrothebaine?
The molecular weight of Phi-dihydrothebaine is 313.17 g/mol.
Where can I buy Phi-dihydrothebaine?
You can request a quote for Phi-dihydrothebaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phi-dihydrothebaine?
Yes, KEHONG BIO provides custom synthesis services for Phi-dihydrothebaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.