荷包牡丹碱
TL;DR: 荷包牡丹碱 (CAS 485-49-4) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荷包牡丹碱
6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
Also Known As: bicuculline, (+)-Bicuculline, d-Bicuculline, Capnoidine, Bicculine
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 485-49-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
| InChIKey | IYGYMKDQCDOMRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
荷包牡丹碱 (CAS 485-49-4), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one.
Chemical Property Profile of 荷包牡丹碱
Property Insights of 荷包牡丹碱
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 荷包牡丹碱. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 荷包牡丹碱. Following Lipinski's Rule of Five, 荷包牡丹碱 has 0 hydrogen bond donor(s) and 7 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 荷包牡丹碱?
The CAS number of 荷包牡丹碱 is 485-49-4.
What is the molecular formula of 荷包牡丹碱?
The molecular formula of 荷包牡丹碱 is C20H17NO6.
What is the molecular weight of 荷包牡丹碱?
The molecular weight of 荷包牡丹碱 is 367.11 g/mol.
Where can I buy 荷包牡丹碱?
You can request a quote for 荷包牡丹碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荷包牡丹碱?
Yes, KEHONG BIO provides custom synthesis services for 荷包牡丹碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.