3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate
TL;DR: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate (CAS 351497-87-5) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2-phenylacetate
Also Known As: 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate, [3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2-phenylacetate, 3-(1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)PHENYL 2-PHENYLACETATE, 3-(1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)phenyl 2-phenylacetate, 3-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL 2-PHENYLACETATE
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.5143 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 852.89136 |
Chemical Identifiers
| CAS Number | 351497-87-5 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)CC4=CC=CC=C4 |
Product Overview
3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate (CAS 351497-87-5), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: [3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2-phenylacetate.
Chemical Property Profile of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate
Property Insights of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate
The XLogP value of 3.5143 indicates that 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate. Following Lipinski's Rule of Five, 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate has 0 hydrogen bond donor(s) and 4 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 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate?
The CAS number of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate is 351497-87-5.
What is the molecular formula of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate?
The molecular formula of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate is C22H21NO4.
What is the molecular weight of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate?
The molecular weight of 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate is 363.15 g/mol.
Where can I buy 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate?
You can request a quote for 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.