Thebaine picrate
TL;DR: Thebaine picrate (CAS 5967-77-1) is a chemical compound with molecular formula C25H24N4O10 and molecular weight 540.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium;2,4,6-trinitrophenolate
Also Known As: THEBAINE PICRATE, Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5.alpha.)-, compd. with 2,4,6-trinitrophenol (1:1)
| Molecular Formula | C25H24N4O10 |
|---|---|
| Molecular Weight | 540.15 g/mol |
| LogP | 1.4922 |
| Topological Polar Surface Area | 184.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.14923 |
| Heavy Atoms | 39 |
| Complexity | 1450.432 |
Chemical Identifiers
| CAS Number | 5967-77-1 |
|---|---|
| SMILES | C[NH+]1CC[C@]23C4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Thebaine picrate (CAS 5967-77-1), with molecular formula C25H24N4O10 and molecular weight 540.15 g/mol. IUPAC: (4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium;2,4,6-trinitrophenolate.
Chemical Property Profile of Thebaine picrate
Property Insights of Thebaine picrate
The XLogP value of 1.4922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thebaine picrate. The TPSA of 184.61 Ų indicates high polarity, suggesting Thebaine picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thebaine picrate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thebaine picrate?
The CAS number of Thebaine picrate is 5967-77-1.
What is the molecular formula of Thebaine picrate?
The molecular formula of Thebaine picrate is C25H24N4O10.
What is the molecular weight of Thebaine picrate?
The molecular weight of Thebaine picrate is 540.15 g/mol.
Where can I buy Thebaine picrate?
You can request a quote for Thebaine picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thebaine picrate?
Yes, KEHONG BIO provides custom synthesis services for Thebaine picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.