2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate
TL;DR: 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate (CAS 524929-55-3) is a chemical compound with molecular formula C21H17NO4 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] benzoate
Also Known As: 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate, [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] benzoate, 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)phenyl benzoate
| Molecular Formula | C21H17NO4 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.3614 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.11575 |
| Heavy Atoms | 26 |
| Complexity | 877.23694 |
Chemical Identifiers
| CAS Number | 524929-55-3 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4 |
Product Overview
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate (CAS 524929-55-3), with molecular formula C21H17NO4 and molecular weight 347.12 g/mol. IUPAC: [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] benzoate.
Chemical Property Profile of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate
Property Insights of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate
The XLogP value of 3.3614 indicates that 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate 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 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate 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 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate?
The CAS number of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate is 524929-55-3.
What is the molecular formula of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate?
The molecular formula of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate is C21H17NO4.
What is the molecular weight of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate?
The molecular weight of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate is 347.12 g/mol.
Where can I buy 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate?
You can request a quote for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.