![5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde structure](/static/products/890/89045-84-1.png)
5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
TL;DR: 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde (CAS 89045-84-1) is a chemical compound with molecular formula C19H16BrNO5 and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
Also Known As: 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde, 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3, 5-[(6-Bromo-2H-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinoline-6(5H)-carbaldehyde
| Molecular Formula | C19H16BrNO5 |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.02118 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 89045-84-1 |
|---|---|
| SMILES | C1CN(C(C2=CC3=C(C=C21)OCO3)CC4=CC5=C(C=C4Br)OCO5)C=O |
| InChIKey | BPWADSJCUFLHRS-UHFFFAOYSA-N |
Product Overview
5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde (CAS 89045-84-1), with molecular formula C19H16BrNO5 and molecular weight 417.02 g/mol. IUPAC: 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde.
Chemical Property Profile of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
Property Insights of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
The XLogP value of 3.6 indicates that 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde 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 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde?
The CAS number of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde is 89045-84-1.
What is the molecular formula of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde?
The molecular formula of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde is C19H16BrNO5.
What is the molecular weight of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde?
The molecular weight of 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde is 417.02 g/mol.
Where can I buy 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde?
You can request a quote for 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.