Bicuculline methobromide
TL;DR: Bicuculline methobromide (CAS 73604-30-5) is a chemical compound with molecular formula C21H20BrNO6 and molecular weight 461.05 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 bromide
Also Known As: Bicuculline methobromide, Bicuculline (methobromide), (-)-BICUCULLINE METHOBROMIDE, (-)-Bicuculline Methbromide, d-Bicuculline (methobromide)
| Molecular Formula | C21H20BrNO6 |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | -0.2667 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 461.0474 |
| Heavy Atoms | 29 |
| Complexity | 1036.3168 |
Chemical Identifiers
| CAS Number | 73604-30-5 |
|---|---|
| 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.[Br-] |
Product Overview
Bicuculline methobromide (CAS 73604-30-5), with molecular formula C21H20BrNO6 and molecular weight 461.05 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 bromide.
Chemical Property Profile of Bicuculline methobromide
Property Insights of Bicuculline methobromide
The XLogP value of -0.2667 indicates that Bicuculline methobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicuculline methobromide. Following Lipinski's Rule of Five, Bicuculline methobromide has 0 hydrogen bond donor(s) and 6 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 Bicuculline methobromide?
The CAS number of Bicuculline methobromide is 73604-30-5.
What is the molecular formula of Bicuculline methobromide?
The molecular formula of Bicuculline methobromide is C21H20BrNO6.
What is the molecular weight of Bicuculline methobromide?
The molecular weight of Bicuculline methobromide is 461.05 g/mol.
Where can I buy Bicuculline methobromide?
You can request a quote for Bicuculline methobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicuculline methobromide?
Yes, KEHONG BIO provides custom synthesis services for Bicuculline methobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.