(-)-Bicuculline methiodide
TL;DR: (-)-Bicuculline methiodide (CAS 55950-08-8) 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.
(6S)-6-[(5R)-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, josamycin, (-)-BICUCULLINE METHIODIDE, (6S)-6-[(5R)-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, N-methyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-imine
| Molecular Formula | C21H20INO6 |
|---|---|
| Molecular Weight | 509.03 g/mol |
| LogP | -0.2667 |
| 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 |
Chemical Identifiers
| CAS Number | 55950-08-8 |
|---|---|
| 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-VOMIJIAVSA-M |
Product Overview
(-)-Bicuculline methiodide (CAS 55950-08-8), with molecular formula C21H20INO6 and molecular weight 509.03 g/mol. IUPAC: (6S)-6-[(5R)-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 -0.2667 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 55950-08-8.
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.