Benzene-1,4-diphosphonic acid
TL;DR: Benzene-1,4-diphosphonic acid (CAS 28255-47-2) is a chemical compound with molecular formula C6H8O6P2 and molecular weight 237.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phosphonophenyl)phosphonic acid
Also Known As: Benzenediphosphonic acid, Phenyldiphosphonic acid, Benzene-1,4-diphosphonic acid, (2-phosphonophenyl)phosphonic acid, 1,2-Diphosphonobenzene
| Molecular Formula | C6H8O6P2 |
|---|---|
| Molecular Weight | 237.98 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.97961 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 28255-47-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)P(=O)(O)O)P(=O)(O)O |
| InChIKey | NNJPAMQRBHASEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene-1,4-diphosphonic acid (CAS 28255-47-2), with molecular formula C6H8O6P2 and molecular weight 237.98 g/mol. IUPAC: (2-phosphonophenyl)phosphonic acid.
Chemical Property Profile of Benzene-1,4-diphosphonic acid
Property Insights of Benzene-1,4-diphosphonic acid
The XLogP value of -2.0 indicates that Benzene-1,4-diphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,4-diphosphonic acid. Following Lipinski's Rule of Five, Benzene-1,4-diphosphonic acid has 4 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 Benzene-1,4-diphosphonic acid?
The CAS number of Benzene-1,4-diphosphonic acid is 28255-47-2.
What is the molecular formula of Benzene-1,4-diphosphonic acid?
The molecular formula of Benzene-1,4-diphosphonic acid is C6H8O6P2.
What is the molecular weight of Benzene-1,4-diphosphonic acid?
The molecular weight of Benzene-1,4-diphosphonic acid is 237.98 g/mol.
Where can I buy Benzene-1,4-diphosphonic acid?
You can request a quote for Benzene-1,4-diphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,4-diphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,4-diphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.