p-NH2-Bn-DTPA
TL;DR: p-NH2-Bn-DTPA (CAS 2517830-66-7) is a chemical compound with molecular formula C21H30N4O10 and molecular weight 498.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Also Known As: p-NH2-Bn-DTPA, (p-NH2-Bn)-DTPA, p-NH2-Bn-DTPA-TFA, p-NH2-Bn-DTPA(B-300), J1.990.389C
| Molecular Formula | C21H30N4O10 |
|---|---|
| Molecular Weight | 498.20 g/mol |
| LogP | -7.2 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 498.1962 |
| Heavy Atoms | 35 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 2517830-66-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N |
| InChIKey | FEZWPBDUNJUSES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-NH2-Bn-DTPA (CAS 2517830-66-7), with molecular formula C21H30N4O10 and molecular weight 498.20 g/mol. IUPAC: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid.
Chemical Property Profile of p-NH2-Bn-DTPA
Property Insights of p-NH2-Bn-DTPA
The XLogP value of -7.2 indicates that p-NH2-Bn-DTPA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting p-NH2-Bn-DTPA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, p-NH2-Bn-DTPA has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-NH2-Bn-DTPA?
The CAS number of p-NH2-Bn-DTPA is 2517830-66-7.
What is the molecular formula of p-NH2-Bn-DTPA?
The molecular formula of p-NH2-Bn-DTPA is C21H30N4O10.
What is the molecular weight of p-NH2-Bn-DTPA?
The molecular weight of p-NH2-Bn-DTPA is 498.20 g/mol.
Where can I buy p-NH2-Bn-DTPA?
You can request a quote for p-NH2-Bn-DTPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-NH2-Bn-DTPA?
Yes, KEHONG BIO provides custom synthesis services for p-NH2-Bn-DTPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.