![2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/791/791-80-0.png)
2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 791-80-0) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-hydroxybenzo[de]isoquinoline-1,3-dione
Also Known As: 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione, 4-hydroxy-N-butyl-1,8-naphthalimide, J3.153.463A, N-Butyl-4-hydroxy-1,8-naphthalenedicarbimide, N-Butyl-4-hydroxynaphthalene-1,8-dicarbimide
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.9415 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 698.72894 |
Chemical Identifiers
| CAS Number | 791-80-0 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C3C(=C(C=C2)O)C=CC=C3C1=O |
Product Overview
2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 791-80-0), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 2-butyl-6-hydroxybenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 2.9415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione. With a topological polar surface area (TPSA) of 57.61 Ų, 2-butyl-6-hydroxy-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-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione has 1 hydrogen bond donor(s) and 3 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-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione is 791-80-0.
What is the molecular formula of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione is C16H15NO3.
What is the molecular weight of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione is 269.11 g/mol.
Where can I buy 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-butyl-6-hydroxy-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-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-6-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.