Bicuculline methiodide
TL;DR: Bicuculline methiodide (CAS 40709-69-1) is a chemical compound with molecular formula C21H20INO6 and molecular weight 509.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
Also Known As: Bicuculline methiodide, (-)-BICUCULLINE METHIODIDE, bicuculine methiodide, (+)-Bicuculline methiodide, (-)-Bicucullinemethiodide
| Molecular Formula | C21H20INO6 |
|---|---|
| Molecular Weight | 509.03 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 509.03354 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
| Solubility | >76.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 40709-69-1 |
|---|---|
| SMILES | C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-] |
| InChIKey | HKJKCPKPSSVUHY-GRTNUQQKSA-M |
Product Overview
Bicuculline methiodide (CAS 40709-69-1), with molecular formula C21H20INO6 and molecular weight 509.03 g/mol. IUPAC: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide.
Chemical Property Profile of Bicuculline methiodide
Property Insights of Bicuculline methiodide
The XLogP value of -0.27 indicates that Bicuculline methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicuculline methiodide. Following Lipinski's Rule of Five, Bicuculline methiodide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bicuculline methiodide?
The CAS number of Bicuculline methiodide is 40709-69-1.
What is the molecular formula of Bicuculline methiodide?
The molecular formula of Bicuculline methiodide is C21H20INO6.
What is the molecular weight of Bicuculline methiodide?
The molecular weight of Bicuculline methiodide is 509.03 g/mol.
Where can I buy Bicuculline methiodide?
You can request a quote for Bicuculline methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicuculline methiodide?
Yes, KEHONG BIO provides custom synthesis services for Bicuculline methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.