methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
TL;DR: methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 329929-51-3) 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-(5-methyl-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate, methyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)benzoate, A1543/0067147, methyl 2-(5-methyl-1,3-dioxobenzo[c]azolidin-2-yl)benzoate, Methyl 2-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)benzoate
| 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 | 329929-51-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)OC |
| InChIKey | TUHCNRSUWBZIBH-UHFFFAOYSA-N |
Product Overview
methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 329929-51-3), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: methyl 2-(5-methyl-1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Property Insights of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)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 methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The CAS number of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 329929-51-3.
What is the molecular formula of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular formula of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is C17H13NO4.
What is the molecular weight of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular weight of methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 295.08 g/mol.
Where can I buy methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
You can request a quote for methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.