2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 890995-96-7) 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.
(2-methylphenyl) 2-methyl-1,3-dioxoisoindole-5-carboxylate
Also Known As: o-tolyl 2-methyl-1,3-dioxoisoindoline-5-carboxylate, (2-methylphenyl) 2-methyl-1,3-dioxoisoindole-5-carboxylate, 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.44002 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 810.0563 |
Chemical Identifiers
| CAS Number | 890995-96-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C |
Product Overview
2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 890995-96-7), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: (2-methylphenyl) 2-methyl-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 2.44002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 890995-96-7.
What is the molecular formula of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is C17H13NO4.
What is the molecular weight of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 295.08 g/mol.
Where can I buy 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylphenyl 2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.