![1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate structure](/static/products/4412/441291-94-7.webp)
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate
TL;DR: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate (CAS 441291-94-7) is a chemical compound with molecular formula C23H25NO4 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxobenzo[de]isoquinolin-2-yl) 4-butylcyclohexane-1-carboxylate
Also Known As: ChemDiv3_001897, IDI1_020863, F0865-0025, 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate, (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-butylcyclohexane-1-carboxylate
| Molecular Formula | C23H25NO4 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 4.8906 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.17834 |
| Heavy Atoms | 28 |
| Complexity | 876.5943 |
Chemical Identifiers
| CAS Number | 441291-94-7 |
|---|---|
| SMILES | CCCCC1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate (CAS 441291-94-7), with molecular formula C23H25NO4 and molecular weight 379.18 g/mol. IUPAC: (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-butylcyclohexane-1-carboxylate.
Chemical Property Profile of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate
Property Insights of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate
The XLogP value of 4.8906 indicates that 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate. Following Lipinski's Rule of Five, 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate 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 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate?
The CAS number of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate is 441291-94-7.
What is the molecular formula of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate?
The molecular formula of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate is C23H25NO4.
What is the molecular weight of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate?
The molecular weight of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate is 379.18 g/mol.
Where can I buy 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate?
You can request a quote for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.