![[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate structure](/static/products/5719/571950-87-3.webp)
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
TL;DR: [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate (CAS 571950-87-3) is a chemical compound with molecular formula C18H18FNO5 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
Also Known As: [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate|2-(4-Fluorophenyl)-2-oxoethyl (1,3-dioxooctahydro-2H-isoindol-2-yl)acetate|MLS002164100|SMR001246477
| Molecular Formula | C18H18FNO5 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 1.7268 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.1169 |
| Heavy Atoms | 25 |
| Complexity | 690.6815 |
Chemical Identifiers
| CAS Number | 571950-87-3 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(C=C3)F |
Product Overview
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate (CAS 571950-87-3), with molecular formula C18H18FNO5 and molecular weight 347.12 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate.
Chemical Property Profile of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
Property Insights of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
The XLogP value of 1.7268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate. Following Lipinski's Rule of Five, [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate 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 [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The CAS number of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is 571950-87-3.
What is the molecular formula of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The molecular formula of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is C18H18FNO5.
What is the molecular weight of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
The molecular weight of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate is 347.12 g/mol.
Where can I buy [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
You can request a quote for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.