![3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid structure](/static/products/3133/313399-25-6.webp)
3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
TL;DR: 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid (CAS 313399-25-6) is a chemical compound with molecular formula C22H13NO5 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-benzoyl-1,3-dioxoisoindol-2-yl)benzoic acid
Also Known As: BAS 00368480, 3-(5-benzoyl-1,3-dioxoisoindol-2-yl)benzoic acid, 3-(5-benzoyl-1,3-dioxoisoindolin-2-yl)benzoic acid, 3-(5-benzoyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 3-(5-Benzoyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid
| Molecular Formula | C22H13NO5 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 3.4164 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.07938 |
| Heavy Atoms | 28 |
| Complexity | 1150.5985 |
Chemical Identifiers
| CAS Number | 313399-25-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O |
Product Overview
3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid (CAS 313399-25-6), with molecular formula C22H13NO5 and molecular weight 371.08 g/mol. IUPAC: 3-(5-benzoyl-1,3-dioxoisoindol-2-yl)benzoic acid.
Chemical Property Profile of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Property Insights of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
The XLogP value of 3.4164 indicates that 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]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 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]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 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
The CAS number of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid is 313399-25-6.
What is the molecular formula of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
The molecular formula of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid is C22H13NO5.
What is the molecular weight of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
The molecular weight of 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid is 371.08 g/mol.
Where can I buy 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
You can request a quote for 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1,3-dioxo-5-(phenylcarbonyl)-1,3-dihydro-2H-isoindol-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.