2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
TL;DR: 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 1005107-05-0) is a chemical compound with molecular formula C24H22FNO5 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate, [2-(4-fluorophenyl)-2-oxoethyl] 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate, 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxo-4,5,6,7,3a,7a-hexahydroiso indol-2-yl)benzoate, 2-(4-FLUOROPHENYL)-2-OXOETHYL 4-(5-METHYL-1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)BENZOATE, 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzoate
| Molecular Formula | C24H22FNO5 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 3.791 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1482 |
| Heavy Atoms | 31 |
| Complexity | 1030.9401 |
Chemical Identifiers
| CAS Number | 1005107-05-0 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)F |
Product Overview
2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 1005107-05-0), with molecular formula C24H22FNO5 and molecular weight 423.15 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Property Insights of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 3.791 indicates that 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 1005107-05-0.
What is the molecular formula of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is C24H22FNO5.
What is the molecular weight of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 423.15 g/mol.
Where can I buy 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-fluorophenyl)-2-oxoethyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.