3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
TL;DR: 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid (CAS 436093-40-2) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxylic acid
Also Known As: BAS 09891503, 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxylic acid, 1H-Isoindole-4-carboxylicacid, 2,3-dihydro-2-(3-methylphenyl)-3-oxo-, 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid, 3-OXO-2-M-TOLYL-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLICACID
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.85362 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 721.412 |
Chemical Identifiers
| CAS Number | 436093-40-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CC3=C(C2=O)C(=CC=C3)C(=O)O |
Product Overview
3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid (CAS 436093-40-2), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 2-(3-methylphenyl)-3-oxo-1H-isoindole-4-carboxylic acid.
Chemical Property Profile of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
Property Insights of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
The XLogP value of 2.85362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The CAS number of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid is 436093-40-2.
What is the molecular formula of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The molecular formula of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid is C16H13NO3.
What is the molecular weight of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid?
The molecular weight of 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid is 267.09 g/mol.
Where can I buy 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid?
You can request a quote for 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2-m-tolyl-2,3-dihydro-1H-isoindole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.