4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid
TL;DR: 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid (CAS 5936-73-2) is a chemical compound with molecular formula C24H17NO5 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-dioxo-2-(1-phenylethyl)isoindole-5-carbonyl]benzoic acid
Also Known As: starbld0011203, BIM-0038118.P001, 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid, 4-[1,3-dioxo-2-(1-phenylethyl)isoindole-5-carbonyl]benzoic acid, 4-{[1,3-dioxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid
| Molecular Formula | C24H17NO5 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.973 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1107 |
| Heavy Atoms | 30 |
| Complexity | 1181.978 |
Chemical Identifiers
| CAS Number | 5936-73-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid (CAS 5936-73-2), with molecular formula C24H17NO5 and molecular weight 399.11 g/mol. IUPAC: 4-[1,3-dioxo-2-(1-phenylethyl)isoindole-5-carbonyl]benzoic acid.
Chemical Property Profile of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid
Property Insights of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid
The XLogP value of 3.973 indicates that 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid. Following Lipinski's Rule of Five, 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid has 1 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 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid?
The CAS number of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid is 5936-73-2.
What is the molecular formula of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid?
The molecular formula of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid is C24H17NO5.
What is the molecular weight of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid?
The molecular weight of 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid is 399.11 g/mol.
Where can I buy 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid?
You can request a quote for 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.