3-Phosphonobenzoic Acid
TL;DR: 3-Phosphonobenzoic Acid (CAS 14899-31-1) is a chemical compound with molecular formula C7H7O5P and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phosphonobenzoic acid
Also Known As: 3-Phosphonobenzoic acid, Benzoic acid, 3-phosphono-, Benzoic acid,3-phosphono-, m-phosphonobenzoic acid, 3-Phosphono-benzoic acid
| Molecular Formula | C7H7O5P |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00311 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 14899-31-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)P(=O)(O)O)C(=O)O |
| InChIKey | ZKKXCRILZNBJJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phosphonobenzoic Acid (CAS 14899-31-1), with molecular formula C7H7O5P and molecular weight 202.00 g/mol. IUPAC: 3-phosphonobenzoic acid.
Chemical Property Profile of 3-Phosphonobenzoic Acid
Property Insights of 3-Phosphonobenzoic Acid
The XLogP value of -0.5 indicates that 3-Phosphonobenzoic 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 3-Phosphonobenzoic Acid. Following Lipinski's Rule of Five, 3-Phosphonobenzoic 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 3-Phosphonobenzoic Acid?
The CAS number of 3-Phosphonobenzoic Acid is 14899-31-1.
What is the molecular formula of 3-Phosphonobenzoic Acid?
The molecular formula of 3-Phosphonobenzoic Acid is C7H7O5P.
What is the molecular weight of 3-Phosphonobenzoic Acid?
The molecular weight of 3-Phosphonobenzoic Acid is 202.00 g/mol.
Where can I buy 3-Phosphonobenzoic Acid?
You can request a quote for 3-Phosphonobenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phosphonobenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phosphonobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.