1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid
TL;DR: 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid (CAS 149543-15-7) is a chemical compound with molecular formula C8H13NO7P2 and molecular weight 297.01672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-aminophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid
Also Known As: APBP compound, [2-(4-aminophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid, 1-hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid, [2-(4-aminophenyl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid, 2-(4-aminophenyl)-1-hydroxy-ethane-1,1-bisphosphonate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H13NO7P2 |
| Molecular Weight | 297.01672 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.01672 Da |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
| SMILES | C1=CC(=CC=C1CC(O)(P(=O)(O)O)P(=O)(O)O)N |
| InChIKey | BRTBLZVYDKNGQX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid
Property Insights of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid
The XLogP value of -2.8 indicates that 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid?
The CAS number of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid is 149543-15-7.
What is the molecular formula of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid?
The molecular formula of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid is C8H13NO7P2.
What is the molecular weight of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid?
The molecular weight of 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid is 297.01672 g/mol.
Where can I buy 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid?
You can request a quote for 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid?
Yes, CoreyChem provides custom synthesis services for 1-Hydroxy-2-(4-aminophenyl)ethane-1,1-diphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.