2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid
TL;DR: 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid (CAS 5458-76-4) is a chemical compound with molecular formula C11H12O6 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(carboxymethoxy)-4-methylphenoxy]acetic acid
Also Known As: 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid, 2,2'-[(4-methylbenzene-1,3-diyl)bis(oxy)]diacetic acid, 2-[3-(carboxymethyloxy)-4-methylphenoxy]acetic acid, EINECS 226-723-3
| Molecular Formula | C11H12O6 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.06339 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 5458-76-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)O)OCC(=O)O |
| InChIKey | GIBXEGOBIUWGQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid (CAS 5458-76-4), with molecular formula C11H12O6 and molecular weight 240.06 g/mol. IUPAC: 2-[3-(carboxymethoxy)-4-methylphenoxy]acetic acid.
Chemical Property Profile of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid
Property Insights of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid. Following Lipinski's Rule of Five, 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid has 2 hydrogen bond donor(s) and 6 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 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid?
The CAS number of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid is 5458-76-4.
What is the molecular formula of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid?
The molecular formula of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid is C11H12O6.
What is the molecular weight of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid?
The molecular weight of 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid is 240.06 g/mol.
Where can I buy 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid?
You can request a quote for 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.