(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate
TL;DR: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate (CAS 21809-52-9) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl benzoate
Also Known As: UPCMLD0ENAT5712467:001, (1,3-dioxoisoindol-2-yl)methyl benzoate, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.0971 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 689.06665 |
Chemical Identifiers
| CAS Number | 21809-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate (CAS 21809-52-9), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl benzoate.
Chemical Property Profile of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate
Property Insights of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate
The XLogP value of 2.0971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl 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 (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate?
The CAS number of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate is 21809-52-9.
What is the molecular formula of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate?
The molecular formula of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate is C16H11NO4.
What is the molecular weight of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate?
The molecular weight of (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate is 281.07 g/mol.
Where can I buy (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate?
You can request a quote for (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.