Dihydrothebainone
TL;DR: Dihydrothebainone (CAS 847-86-9) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Also Known As: Dihydrothebainone, HYDROCODONE, AE-562/12222547, 3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0~1,10~.0~2,7~]heptadeca-2,4,6-trien-13-one, (1S,9R,10R)-3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.268 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 641.4646 |
Chemical Identifiers
| CAS Number | 847-86-9 |
|---|---|
| SMILES | CN1CCC23CC(=O)CCC2C1CC4=C3C(=C(C=C4)OC)O |
Product Overview
Dihydrothebainone (CAS 847-86-9), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: 3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.
Chemical Property Profile of Dihydrothebainone
Property Insights of Dihydrothebainone
The XLogP value of 2.268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrothebainone. With a topological polar surface area (TPSA) of 49.77 Ų, Dihydrothebainone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrothebainone 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 Dihydrothebainone?
The CAS number of Dihydrothebainone is 847-86-9.
What is the molecular formula of Dihydrothebainone?
The molecular formula of Dihydrothebainone is C18H23NO3.
What is the molecular weight of Dihydrothebainone?
The molecular weight of Dihydrothebainone is 301.17 g/mol.
Where can I buy Dihydrothebainone?
You can request a quote for Dihydrothebainone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrothebainone?
Yes, KEHONG BIO provides custom synthesis services for Dihydrothebainone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.