Thebainone methiodide
TL;DR: Thebainone methiodide (CAS 6043-90-9) is a chemical compound with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Thebainone methiodide, BIM-0043667.P001, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, A1978/0083233, 5-(3,4-dimethoxybenzylidene)-1-(1-naphthyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C23H18N2O4S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.6883 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.09872 |
| Heavy Atoms | 30 |
| Complexity | 1213.5536 |
Chemical Identifiers
| CAS Number | 6043-90-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC4=CC=CC=C43)OC |
Product Overview
Thebainone methiodide (CAS 6043-90-9), with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Thebainone methiodide
Property Insights of Thebainone methiodide
The XLogP value of 3.6883 indicates that Thebainone methiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Thebainone methiodide. Following Lipinski's Rule of Five, Thebainone methiodide has 1 hydrogen bond donor(s) and 5 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 Thebainone methiodide?
The CAS number of Thebainone methiodide is 6043-90-9.
What is the molecular formula of Thebainone methiodide?
The molecular formula of Thebainone methiodide is C23H18N2O4S.
What is the molecular weight of Thebainone methiodide?
The molecular weight of Thebainone methiodide is 418.10 g/mol.
Where can I buy Thebainone methiodide?
You can request a quote for Thebainone methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thebainone methiodide?
Yes, KEHONG BIO provides custom synthesis services for Thebainone methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.