Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-
TL;DR: Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- (CAS 75491-94-0) is a chemical compound with molecular formula C19H16NO4+ and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol
Also Known As: Thalifaurine, Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-, 16-methoxy-6,8-dioxa-1-azoniapentacyclo(11.8.0.03,11.05,9.014,19)henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol, 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol, 3-Hydroxy-2-methoxy-5,6-dihydro-11H-[1,3]dioxolo[4,5-g]isoquinolino[2,1-b]isoquinolin-7-ium
| Molecular Formula | C19H16NO4+ |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.10794 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 75491-94-0 |
|---|---|
| SMILES | COC1=C(C=C2CC[N+]3=CC4=CC5=C(C=C4C=C3C2=C1)OCO5)O |
| InChIKey | NAZZLWVJASSOOC-UHFFFAOYSA-O |
Product Overview
Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- (CAS 75491-94-0), with molecular formula C19H16NO4+ and molecular weight 322.11 g/mol. IUPAC: 16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol.
Chemical Property Profile of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-
Property Insights of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-
The XLogP value of 3.3 indicates that Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- has 1 hydrogen bond donor(s) and 4 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 Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-?
The CAS number of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- is 75491-94-0.
What is the molecular formula of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-?
The molecular formula of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- is C19H16NO4+.
What is the molecular weight of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-?
The molecular weight of Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- is 322.11 g/mol.
Where can I buy Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-?
You can request a quote for Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)(1,3)benzodioxolo(5,6-g)quinolizinium, 5,6-dihydro-3-hydroxy-2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.