alpha-Phosphonobenzeneacetic acid
TL;DR: alpha-Phosphonobenzeneacetic acid (CAS 38654-93-2) is a chemical compound with molecular formula C8H9O5P and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-phosphonoacetic acid
Also Known As: alpha-Phosphonobenzeneacetic acid, 2-phenyl-2-phosphonoacetic acid, Benzeneacetic acid,a-phosphono, Benzeneacetic acid, alpha-phosphono-, Benzeneacetic acid, a-phosphono-
| Molecular Formula | C8H9O5P |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.01875 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 38654-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)P(=O)(O)O |
| InChIKey | XOAOLUVHGLODKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Phosphonobenzeneacetic acid (CAS 38654-93-2), with molecular formula C8H9O5P and molecular weight 216.02 g/mol. IUPAC: 2-phenyl-2-phosphonoacetic acid.
Chemical Property Profile of alpha-Phosphonobenzeneacetic acid
Property Insights of alpha-Phosphonobenzeneacetic acid
The XLogP value of -0.3 indicates that alpha-Phosphonobenzeneacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Phosphonobenzeneacetic acid. Following Lipinski's Rule of Five, alpha-Phosphonobenzeneacetic acid has 3 hydrogen bond donor(s) and 5 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 alpha-Phosphonobenzeneacetic acid?
The CAS number of alpha-Phosphonobenzeneacetic acid is 38654-93-2.
What is the molecular formula of alpha-Phosphonobenzeneacetic acid?
The molecular formula of alpha-Phosphonobenzeneacetic acid is C8H9O5P.
What is the molecular weight of alpha-Phosphonobenzeneacetic acid?
The molecular weight of alpha-Phosphonobenzeneacetic acid is 216.02 g/mol.
Where can I buy alpha-Phosphonobenzeneacetic acid?
You can request a quote for alpha-Phosphonobenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phosphonobenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phosphonobenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.