Diphenoxyacetic acid
TL;DR: Diphenoxyacetic acid (CAS 729-89-5) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenoxyacetic acid
Also Known As: 2,2-diphenoxyacetic acid, Diphenoxyacetic acid, ACETIC ACID, DIPHENOXY-, Medifoxamine acid metabolite, Glyoxylic acid, 2-(diphenyl acetal)
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 729-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(C(=O)O)OC2=CC=CC=C2 |
| InChIKey | BWRPEDIXOHZKFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenoxyacetic acid (CAS 729-89-5), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: 2,2-diphenoxyacetic acid.
Chemical Property Profile of Diphenoxyacetic acid
Property Insights of Diphenoxyacetic acid
The XLogP value of 3.3 indicates that Diphenoxyacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Diphenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenoxyacetic 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 Diphenoxyacetic acid?
The CAS number of Diphenoxyacetic acid is 729-89-5.
What is the molecular formula of Diphenoxyacetic acid?
The molecular formula of Diphenoxyacetic acid is C14H12O4.
What is the molecular weight of Diphenoxyacetic acid?
The molecular weight of Diphenoxyacetic acid is 244.07 g/mol.
Where can I buy Diphenoxyacetic acid?
You can request a quote for Diphenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Diphenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.