2-(4-Methylphenyl)isoindolin-1-one
TL;DR: 2-(4-Methylphenyl)isoindolin-1-one (CAS 4778-84-1) is a chemical compound with molecular formula C15H13NO and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-3H-isoindol-1-one
Also Known As: 2-(P-TOLYL)ISOINDOLIN-1-ONE, 2-(4-methylphenyl)isoindolin-1-one, ML011 Analog, 2-p-Tolyl-isoindolin-1-on, 2-(4-methylphenyl)-2,3-dihydro-1H-isoindol-1-one
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.15542 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 571.7306 |
Chemical Identifiers
| CAS Number | 4778-84-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O |
Product Overview
2-(4-Methylphenyl)isoindolin-1-one (CAS 4778-84-1), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 2-(4-methylphenyl)-3H-isoindol-1-one.
Chemical Property Profile of 2-(4-Methylphenyl)isoindolin-1-one
Property Insights of 2-(4-Methylphenyl)isoindolin-1-one
The XLogP value of 3.15542 indicates that 2-(4-Methylphenyl)isoindolin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-(4-Methylphenyl)isoindolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)isoindolin-1-one has 0 hydrogen bond donor(s) and 1 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-(4-Methylphenyl)isoindolin-1-one?
The CAS number of 2-(4-Methylphenyl)isoindolin-1-one is 4778-84-1.
What is the molecular formula of 2-(4-Methylphenyl)isoindolin-1-one?
The molecular formula of 2-(4-Methylphenyl)isoindolin-1-one is C15H13NO.
What is the molecular weight of 2-(4-Methylphenyl)isoindolin-1-one?
The molecular weight of 2-(4-Methylphenyl)isoindolin-1-one is 223.10 g/mol.
Where can I buy 2-(4-Methylphenyl)isoindolin-1-one?
You can request a quote for 2-(4-Methylphenyl)isoindolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)isoindolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)isoindolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.