p-Xylylenediphosphonic Acid
TL;DR: p-Xylylenediphosphonic Acid (CAS 4546-06-9) is a chemical compound with molecular formula C8H12O6P2 and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(phosphonomethyl)phenyl]methylphosphonic acid
Also Known As: p-xylylenediphosphonic acid, p-Xylylenebisphosphonic acid, [4-(phosphonomethyl)phenyl]methylphosphonic Acid, (1,4-Phenylenebis(methylene))diphosphonic acid, p-xylene diphosphonic acid
| Molecular Formula | C8H12O6P2 |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.01093 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 4546-06-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CP(=O)(O)O)CP(=O)(O)O |
| InChIKey | ZURHBENZJDSCRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Xylylenediphosphonic Acid (CAS 4546-06-9), with molecular formula C8H12O6P2 and molecular weight 266.01 g/mol. IUPAC: [4-(phosphonomethyl)phenyl]methylphosphonic acid.
Chemical Property Profile of p-Xylylenediphosphonic Acid
Property Insights of p-Xylylenediphosphonic Acid
The XLogP value of -2.1 indicates that p-Xylylenediphosphonic 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 p-Xylylenediphosphonic Acid. Following Lipinski's Rule of Five, p-Xylylenediphosphonic 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 p-Xylylenediphosphonic Acid?
The CAS number of p-Xylylenediphosphonic Acid is 4546-06-9.
What is the molecular formula of p-Xylylenediphosphonic Acid?
The molecular formula of p-Xylylenediphosphonic Acid is C8H12O6P2.
What is the molecular weight of p-Xylylenediphosphonic Acid?
The molecular weight of p-Xylylenediphosphonic Acid is 266.01 g/mol.
Where can I buy p-Xylylenediphosphonic Acid?
You can request a quote for p-Xylylenediphosphonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Xylylenediphosphonic Acid?
Yes, KEHONG BIO provides custom synthesis services for p-Xylylenediphosphonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.