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2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 313506-03-5) is a chemical compound with molecular formula C22H19NO2 and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butylphenyl)benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00295744, 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(4-butylphenyl)benzo[de]isoquinoline-1,3-dione, 2-(4-Butyl-phenyl)-benzo[de]isoquinoline-1,3-dione, AH-034/33702014
| Molecular Formula | C22H19NO2 |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 4.983 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.14157 |
| Heavy Atoms | 25 |
| Complexity | 922.2387 |
Chemical Identifiers
| CAS Number | 313506-03-5 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 313506-03-5), with molecular formula C22H19NO2 and molecular weight 329.14 g/mol. IUPAC: 2-(4-butylphenyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.983 indicates that 2-(4-butylphenyl)-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 37.38 Ų, 2-(4-butylphenyl)-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-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 2 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-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 313506-03-5.
What is the molecular formula of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C22H19NO2.
What is the molecular weight of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 329.14 g/mol.
Where can I buy 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(4-butylphenyl)-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-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-butylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.