benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt
TL;DR: benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt (CAS 182228-06-4) is a chemical compound with molecular formula C14H11NNa3O5P and molecular weight 373.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[N-(phosphonatomethyl)anilino]benzoate
Also Known As: Trisodium 4-((phenylphosphonomethyl)amino)benzoate, Benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt, 4-(alpha-Disodiumphosphonatobenzylamino)benzoic acid sodium salt, trisodium 4-[N-(phosphonatomethyl)anilino]benzoate, Trisodium 4-[phenyl(phosphonatomethyl)amino]benzoate
| Molecular Formula | C14H11NNa3O5P |
|---|---|
| Molecular Weight | 373.01 g/mol |
| LogP | -8.9286 |
| Topological Polar Surface Area | 106.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0068 |
| Heavy Atoms | 24 |
| Complexity | 678.5691 |
Chemical Identifiers
| CAS Number | 182228-06-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CP(=O)([O-])[O-])C2=CC=C(C=C2)C(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt (CAS 182228-06-4), with molecular formula C14H11NNa3O5P and molecular weight 373.01 g/mol. IUPAC: trisodium;4-[N-(phosphonatomethyl)anilino]benzoate.
Chemical Property Profile of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt
Property Insights of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt
The XLogP value of -8.9286 indicates that benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt. Following Lipinski's Rule of Five, benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt has 0 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 benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt?
The CAS number of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt is 182228-06-4.
What is the molecular formula of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt?
The molecular formula of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt is C14H11NNa3O5P.
What is the molecular weight of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt?
The molecular weight of benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt is 373.01 g/mol.
Where can I buy benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt?
You can request a quote for benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.