Bicuculline methoxide
TL;DR: Bicuculline methoxide (CAS 41544-46-1) is a chemical compound with molecular formula C21H21NO7 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
Also Known As: Bicuculline methoxide, 1,3-Benzodioxole-4-carboxylic acid, 5-(hydroxy(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, methyl ester, methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate, Methyl 5-[hydroxy(6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-2H-1,3-benzodioxole-4-carboxylate, methyl 5-[hydroxy(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
| Molecular Formula | C21H21NO7 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1318 |
| Heavy Atoms | 29 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 41544-46-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C1C(C4=C(C5=C(C=C4)OCO5)C(=O)OC)O)OCO3 |
| InChIKey | DYXUHSYICPYLBB-UHFFFAOYSA-N |
Product Overview
Bicuculline methoxide (CAS 41544-46-1), with molecular formula C21H21NO7 and molecular weight 399.13 g/mol. IUPAC: methyl 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate.
Chemical Property Profile of Bicuculline methoxide
Property Insights of Bicuculline methoxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicuculline methoxide. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicuculline methoxide. Following Lipinski's Rule of Five, Bicuculline methoxide has 1 hydrogen bond donor(s) and 8 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 methoxide?
The CAS number of Bicuculline methoxide is 41544-46-1.
What is the molecular formula of Bicuculline methoxide?
The molecular formula of Bicuculline methoxide is C21H21NO7.
What is the molecular weight of Bicuculline methoxide?
The molecular weight of Bicuculline methoxide is 399.13 g/mol.
Where can I buy Bicuculline methoxide?
You can request a quote for Bicuculline methoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicuculline methoxide?
Yes, KEHONG BIO provides custom synthesis services for Bicuculline methoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.