![[5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid structure](/static/products/6505/650596-15-9.webp)
[5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
TL;DR: [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid (CAS 650596-15-9) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
Also Known As: ChemDiv3_005788, IDI1_023698, 2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic acid, 2-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid, BRD-K73441260-001-01-6
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 650596-15-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CC(=O)O |
| InChIKey | ZPEBYGRZMWFEJS-UHFFFAOYSA-N |
Product Overview
[5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid (CAS 650596-15-9), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: 2-[5-(4-methylphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid.
Chemical Property Profile of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
Property Insights of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid. Following Lipinski's Rule of Five, [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid has 1 hydrogen bond donor(s) and 5 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 [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid?
The CAS number of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid is 650596-15-9.
What is the molecular formula of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid?
The molecular formula of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid is C17H13NO5.
What is the molecular weight of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid?
The molecular weight of [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid is 311.08 g/mol.
Where can I buy [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid?
You can request a quote for [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.