![3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid structure](/static/products/4248/424809-56-3.webp)
3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
TL;DR: 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 424809-56-3) is a chemical compound with molecular formula C28H17NO9S and molecular weight 543.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[4-(4-carboxyphenyl)sulfonylphenoxy]-1,3-dioxoisoindol-2-yl]benzoic acid
Also Known As: 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 3-(5-(4-((4-carboxyphenyl)sulfonyl)phenoxy)-1,3-dioxoisoindolin-2-yl)benzoic acid, 3-[5-[4-(4-carboxyphenyl)sulfonylphenoxy]-1,3-dioxo-isoindol-2-yl]benzoic Acid, 3-[5-[4-(4-carboxyphenyl)sulfonylphenoxy]-1,3-dioxoisoindol-2-yl]benzoic acid, 3-{5-[4-(4-CARBOXYBENZENESULFONYL)PHENOXY]-1,3-DIOXOISOINDOL-2-YL}BENZOIC ACID
| Molecular Formula | C28H17NO9S |
|---|---|
| Molecular Weight | 543.06 g/mol |
| LogP | 4.5087 |
| Topological Polar Surface Area | 155.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.0624 |
| Heavy Atoms | 39 |
| Complexity | 1776.966 |
Chemical Identifiers
| CAS Number | 424809-56-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)O)C(=O)O |
Product Overview
3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 424809-56-3), with molecular formula C28H17NO9S and molecular weight 543.06 g/mol. IUPAC: 3-[5-[4-(4-carboxyphenyl)sulfonylphenoxy]-1,3-dioxoisoindol-2-yl]benzoic acid.
Chemical Property Profile of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Property Insights of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
The XLogP value of 4.5087 indicates that 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-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 155.35 Ų indicates high polarity, suggesting 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The CAS number of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 424809-56-3.
What is the molecular formula of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular formula of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is C28H17NO9S.
What is the molecular weight of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular weight of 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 543.06 g/mol.
Where can I buy 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
You can request a quote for 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-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-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-{4-[(4-carboxyphenyl)sulfonyl]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.