3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
TL;DR: 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 439095-70-2) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
Also Known As: 3-(1-Oxoisoindolin-2-yl)-3-(p-tolyl)propanoic acid, 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, methylphenyloxodihydroisoindolylpropanoicacid, 3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic Acid, 9R-0613
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.16682 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 721.36707 |
Chemical Identifiers
| CAS Number | 439095-70-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O |
Product Overview
3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 439095-70-2), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: 3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid.
Chemical Property Profile of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Property Insights of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
The XLogP value of 3.16682 indicates that 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic 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-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The CAS number of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is 439095-70-2.
What is the molecular formula of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The molecular formula of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is C18H17NO3.
What is the molecular weight of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The molecular weight of 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is 295.12 g/mol.
Where can I buy 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
You can request a quote for 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.