Adlumidine
TL;DR: Adlumidine (CAS 550-49-2) 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.
(6S)-6-[(5S)-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: Adlumidine, d-Adlumidine, bicuculline, (+)-Bicuculline, (+)-ADLUMIDINE
| 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 | 550-49-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@H]1[C@@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
| InChIKey | IYGYMKDQCDOMRE-ROUUACIJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adlumidine (CAS 550-49-2), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: (6S)-6-[(5S)-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 Adlumidine
Property Insights of Adlumidine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adlumidine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Adlumidine. Following Lipinski's Rule of Five, Adlumidine 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 Adlumidine?
The CAS number of Adlumidine is 550-49-2.
What is the molecular formula of Adlumidine?
The molecular formula of Adlumidine is C20H17NO6.
What is the molecular weight of Adlumidine?
The molecular weight of Adlumidine is 367.11 g/mol.
Where can I buy Adlumidine?
You can request a quote for Adlumidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adlumidine?
Yes, KEHONG BIO provides custom synthesis services for Adlumidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.