2-Phosphonobutane-1,2,4-tricarboxylic acid
TL;DR: 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1) is a chemical compound with molecular formula C7H11O9P and molecular weight 270.01407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phosphonobutane-1,2,4-tricarboxylic acid
Also Known As: 2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID, PBTC, BAYHIBIT AM, PBTA, 2-Phosphono-1,2,4-butanetricarboxylic acid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11O9P |
| Molecular Weight | 270.01407 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.01407 Da |
| Heavy Atoms | 17 |
| Complexity | 383.0 |
| SMILES | C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O |
| InChIKey | SZHQPBJEOCHCKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phosphonobutane-1,2,4-tricarboxylic acid
Property Insights of 2-Phosphonobutane-1,2,4-tricarboxylic acid
The XLogP value of -2.8 indicates that 2-Phosphonobutane-1,2,4-tricarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting 2-Phosphonobutane-1,2,4-tricarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Phosphonobutane-1,2,4-tricarboxylic acid has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phosphonobutane-1,2,4-tricarboxylic acid?
The CAS number of 2-Phosphonobutane-1,2,4-tricarboxylic acid is 37971-36-1.
What is the molecular formula of 2-Phosphonobutane-1,2,4-tricarboxylic acid?
The molecular formula of 2-Phosphonobutane-1,2,4-tricarboxylic acid is C7H11O9P.
What is the molecular weight of 2-Phosphonobutane-1,2,4-tricarboxylic acid?
The molecular weight of 2-Phosphonobutane-1,2,4-tricarboxylic acid is 270.01407 g/mol.
Where can I buy 2-Phosphonobutane-1,2,4-tricarboxylic acid?
You can request a quote for 2-Phosphonobutane-1,2,4-tricarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phosphonobutane-1,2,4-tricarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Phosphonobutane-1,2,4-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.