Phenyleneethylenetriamine pentaacetic acid
TL;DR: Phenyleneethylenetriamine pentaacetic acid (CAS 126736-75-2) is a chemical compound with molecular formula C18H23N3O10 and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]ethyl-(carboxymethyl)amino]acetic acid
Also Known As: Ph-DTPA, PHENYLENEETHYLENETRIAMINE PENTAACETIC ACID, 2-[2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]ethyl-(carboxymethyl)amino]acetic acid, J1.706.996I, Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-[2-[bis(carboxymethyl)amino]phenyl]-
| Molecular Formula | C18H23N3O10 |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | -0.9756 |
| Topological Polar Surface Area | 196.22 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 441.13834 |
| Heavy Atoms | 31 |
| Complexity | 796.55853 |
Chemical Identifiers
| CAS Number | 126736-75-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
Product Overview
Phenyleneethylenetriamine pentaacetic acid (CAS 126736-75-2), with molecular formula C18H23N3O10 and molecular weight 441.14 g/mol. IUPAC: 2-[2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]ethyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Phenyleneethylenetriamine pentaacetic acid
Property Insights of Phenyleneethylenetriamine pentaacetic acid
The XLogP value of -0.9756 indicates that Phenyleneethylenetriamine pentaacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.22 Ų indicates high polarity, suggesting Phenyleneethylenetriamine pentaacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenyleneethylenetriamine pentaacetic acid has 5 hydrogen bond donor(s) and 8 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 Phenyleneethylenetriamine pentaacetic acid?
The CAS number of Phenyleneethylenetriamine pentaacetic acid is 126736-75-2.
What is the molecular formula of Phenyleneethylenetriamine pentaacetic acid?
The molecular formula of Phenyleneethylenetriamine pentaacetic acid is C18H23N3O10.
What is the molecular weight of Phenyleneethylenetriamine pentaacetic acid?
The molecular weight of Phenyleneethylenetriamine pentaacetic acid is 441.14 g/mol.
Where can I buy Phenyleneethylenetriamine pentaacetic acid?
You can request a quote for Phenyleneethylenetriamine pentaacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyleneethylenetriamine pentaacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenyleneethylenetriamine pentaacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.