3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid
TL;DR: 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid (CAS 667406-67-9) is a chemical compound with molecular formula C22H14BrNO5 and molecular weight 451.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-bromophenoxy)-1,3-dioxoisoindol-2-yl]-4-methylbenzoic acid
Also Known As: 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid, 3-[5-(4-bromophenoxy)-1,3-dioxo-isoindol-2-yl]-4-methyl-benzoic Acid, 3-[5-(4-bromophenoxy)-1,3-dioxoisoindol-2-yl]-4-methylbenzoic acid, 3-[5-(4-bromophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-4-methylbenzoic acid, 3-[5-(4-BROMOPHENOXY)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL]-4-METHYLBENZOIC ACID
| Molecular Formula | C22H14BrNO5 |
|---|---|
| Molecular Weight | 451.01 g/mol |
| LogP | 5.04862 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.00555 |
| Heavy Atoms | 29 |
| Complexity | 1170.3202 |
Chemical Identifiers
| CAS Number | 667406-67-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br |
Product Overview
3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid (CAS 667406-67-9), with molecular formula C22H14BrNO5 and molecular weight 451.01 g/mol. IUPAC: 3-[5-(4-bromophenoxy)-1,3-dioxoisoindol-2-yl]-4-methylbenzoic acid.
Chemical Property Profile of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid
Property Insights of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid
The XLogP value of 5.04862 indicates that 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid has 1 hydrogen bond donor(s) and 4 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-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid?
The CAS number of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid is 667406-67-9.
What is the molecular formula of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid?
The molecular formula of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid is C22H14BrNO5.
What is the molecular weight of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid?
The molecular weight of 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid is 451.01 g/mol.
Where can I buy 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid?
You can request a quote for 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic 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-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(4-bromophenoxy)-1,3-dioxoisoindolin-2-yl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.