![2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3219/321979-19-5.webp)
2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 321979-19-5) is a chemical compound with molecular formula C20H13NO4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00533659, BIM-0024887.P001, 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, AB00089524-01, F0131-0040
| Molecular Formula | C20H13NO4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.3647 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08447 |
| Heavy Atoms | 25 |
| Complexity | 1005.99554 |
Chemical Identifiers
| CAS Number | 321979-19-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 321979-19-5), with molecular formula C20H13NO4 and molecular weight 331.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.3647 indicates that 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 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 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 321979-19-5.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C20H13NO4.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 331.08 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.