Propanediaminetetraacetic acid
TL;DR: Propanediaminetetraacetic acid (CAS 1939-36-2) is a chemical compound with molecular formula C11H18N2O8 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid
Also Known As: TRIMETHYLENEDIAMINETETRAACETIC ACID, 1,3-PDTA, PDTA, CHELEST PD 4H, 1,3-Propylenediaminetertaacetic acid
| Molecular Formula | C11H18N2O8 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.10632 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 1939-36-2 |
|---|---|
| SMILES | C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O |
| InChIKey | DMQQXDPCRUGSQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanediaminetetraacetic acid (CAS 1939-36-2), with molecular formula C11H18N2O8 and molecular weight 306.11 g/mol. IUPAC: 2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Propanediaminetetraacetic acid
Property Insights of Propanediaminetetraacetic acid
The XLogP value of -5.5 indicates that Propanediaminetetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Propanediaminetetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanediaminetetraacetic acid has 4 hydrogen bond donor(s) and 10 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 Propanediaminetetraacetic acid?
The CAS number of Propanediaminetetraacetic acid is 1939-36-2.
What is the molecular formula of Propanediaminetetraacetic acid?
The molecular formula of Propanediaminetetraacetic acid is C11H18N2O8.
What is the molecular weight of Propanediaminetetraacetic acid?
The molecular weight of Propanediaminetetraacetic acid is 306.11 g/mol.
Where can I buy Propanediaminetetraacetic acid?
You can request a quote for Propanediaminetetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanediaminetetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Propanediaminetetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.