1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate
TL;DR: 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate (CAS 701239-28-3) is a chemical compound with molecular formula C15H10FNO5S and molecular weight 335.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl) 4-fluoro-2-methylbenzenesulfonate
Also Known As: 1,3-dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate, F1560-1184, (1,3-dioxoisoindol-2-yl) 4-fluoro-2-methylbenzenesulfonate, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-fluoro-2-methylbenzene-1-sulfonate, (1,3-dioxo-2-isoindolinyloxy)-4-fluoro-2-tolyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C15H10FNO5S |
|---|---|
| Molecular Weight | 335.03 g/mol |
| LogP | 2.05062 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.02637 |
| Heavy Atoms | 23 |
| Complexity | 903.6335 |
Chemical Identifiers
| CAS Number | 701239-28-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O |
Product Overview
1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate (CAS 701239-28-3), with molecular formula C15H10FNO5S and molecular weight 335.03 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) 4-fluoro-2-methylbenzenesulfonate.
Chemical Property Profile of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate
Property Insights of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate
The XLogP value of 2.05062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate. Following Lipinski's Rule of Five, 1,3-Dioxoisoindolin-2-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-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate?
The CAS number of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate is 701239-28-3.
What is the molecular formula of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate?
The molecular formula of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate is C15H10FNO5S.
What is the molecular weight of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate?
The molecular weight of 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate is 335.03 g/mol.
Where can I buy 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate?
You can request a quote for 1,3-Dioxoisoindolin-2-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-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxoisoindolin-2-yl 4-fluoro-2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.