2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
TL;DR: 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 1005085-78-8) is a chemical compound with molecular formula C29H23NO5 and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,2-diphenylethyl) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, (2-oxo-1,2-diphenylethyl) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate
| Molecular Formula | C29H23NO5 |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 4.9232 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.15762 |
| Heavy Atoms | 35 |
| Complexity | 1289.1683 |
Chemical Identifiers
| CAS Number | 1005085-78-8 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CC=CC=C5 |
Product Overview
2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 1005085-78-8), with molecular formula C29H23NO5 and molecular weight 465.16 g/mol. IUPAC: (2-oxo-1,2-diphenylethyl) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Property Insights of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 4.9232 indicates that 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 1005085-78-8.
What is the molecular formula of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is C29H23NO5.
What is the molecular weight of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 465.16 g/mol.
Where can I buy 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-1,2-diphenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.