Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
TL;DR: Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 57023-64-0) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00225221, methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate, methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate, A0730/0034040, methyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 57023-64-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC |
| InChIKey | RTZRJFKZNPYTOD-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 57023-64-0), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
Property Insights of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate 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 Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The CAS number of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate is 57023-64-0.
What is the molecular formula of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular formula of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate is C17H13NO4.
What is the molecular weight of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular weight of Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate is 295.08 g/mol.
Where can I buy Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
You can request a quote for Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.