1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-
TL;DR: 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- (CAS 16658-48-3) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: Mollinedine, 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-, 5-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinoline, 5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2H-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 16658-48-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC3=NC=CC4=CC5=C(C=C43)OCO5 |
| InChIKey | LLMXWLQPZZHFKK-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- (CAS 16658-48-3), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-
Property Insights of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-
The XLogP value of 3.7 indicates that 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- has 0 hydrogen bond donor(s) and 5 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 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- is 16658-48-3.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- is C18H13NO4.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- is 307.08 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinoline, 5-piperonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.