![1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate structure](/static/products/865/865613-48-5.png)
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate
TL;DR: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate (CAS 865613-48-5) is a chemical compound with molecular formula C19H12FNO5S and molecular weight 385.04 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-fluoro-2-methylbenzenesulfonate
Also Known As: 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate, F1560-1169, (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-fluoro-2-methylbenzenesulfonate, 2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl 4-fluoro-2-methylbenzene-1-sulfonate
| Molecular Formula | C19H12FNO5S |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 3.20382 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.04202 |
| Heavy Atoms | 27 |
| Complexity | 1185.3286 |
Chemical Identifiers
| CAS Number | 865613-48-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate (CAS 865613-48-5), with molecular formula C19H12FNO5S and molecular weight 385.04 g/mol. IUPAC: (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-fluoro-2-methylbenzenesulfonate.
Chemical Property Profile of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate
Property Insights of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate
The XLogP value of 3.20382 indicates that 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate. Following Lipinski's Rule of Five, 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate 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 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate?
The CAS number of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate is 865613-48-5.
What is the molecular formula of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate?
The molecular formula of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate is C19H12FNO5S.
What is the molecular weight of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate?
The molecular weight of 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate is 385.04 g/mol.
Where can I buy 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate?
You can request a quote for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate 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-fluoro-2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-fluoro-2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.