1,4-Phenylenedioxydiacetic acid
TL;DR: 1,4-Phenylenedioxydiacetic acid (CAS 2245-53-6) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(carboxymethoxy)phenoxy]acetic acid
Also Known As: 2,2'-(1,4-Phenylenebis(oxy))diacetic acid, Hydroquinone-O,O'-diacetic acid, Q-Linker, 1,4-Dicarboxymethoxybenzene, 1,4-Phenylenedioxydiacetic acid
| Molecular Formula | C10H10O6 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.04774 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 2245-53-6 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)O)OCC(=O)O |
| InChIKey | DNXOCFKTVLHUMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Phenylenedioxydiacetic acid (CAS 2245-53-6), with molecular formula C10H10O6 and molecular weight 226.05 g/mol. IUPAC: 2-[4-(carboxymethoxy)phenoxy]acetic acid.
Chemical Property Profile of 1,4-Phenylenedioxydiacetic acid
Property Insights of 1,4-Phenylenedioxydiacetic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Phenylenedioxydiacetic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Phenylenedioxydiacetic acid. Following Lipinski's Rule of Five, 1,4-Phenylenedioxydiacetic 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 1,4-Phenylenedioxydiacetic acid?
The CAS number of 1,4-Phenylenedioxydiacetic acid is 2245-53-6.
What is the molecular formula of 1,4-Phenylenedioxydiacetic acid?
The molecular formula of 1,4-Phenylenedioxydiacetic acid is C10H10O6.
What is the molecular weight of 1,4-Phenylenedioxydiacetic acid?
The molecular weight of 1,4-Phenylenedioxydiacetic acid is 226.05 g/mol.
Where can I buy 1,4-Phenylenedioxydiacetic acid?
You can request a quote for 1,4-Phenylenedioxydiacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Phenylenedioxydiacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Phenylenedioxydiacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.