1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate
TL;DR: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate (CAS 67695-79-8) 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) 4-methylbenzoate
Also Known As: 1,3-Dioxoisoindolin-2-yl 4-methylbenzoate, BAS 00395511, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate, (1,3-dioxoisoindol-2-yl) 4-methylbenzoate, (1,3-dioxoisoindolin-2-yl) 4-methylbenzoate
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.36302 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 714.1272 |
Chemical Identifiers
| CAS Number | 67695-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O |
Product Overview
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate (CAS 67695-79-8), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) 4-methylbenzoate.
Chemical Property Profile of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate
Property Insights of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate
The XLogP value of 2.36302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate 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-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate?
The CAS number of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate is 67695-79-8.
What is the molecular formula of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate?
The molecular formula of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate is C16H11NO4.
What is the molecular weight of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate?
The molecular weight of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate is 281.07 g/mol.
Where can I buy 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate?
You can request a quote for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate 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-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.