Pbab-edta
TL;DR: Pbab-edta (CAS 86375-28-2) is a chemical compound with molecular formula C19H24BrN3O9 and molecular weight 517.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxymethyl)amino]acetic acid
Also Known As: Pbab-edta, Fe-BABE, BABE cpd, FeBABE, Acetic acid BABE
| Molecular Formula | C19H24BrN3O9 |
|---|---|
| Molecular Weight | 517.07 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 517.0696 |
| Heavy Atoms | 32 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 86375-28-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CBr |
| InChIKey | VOQPQBGCWBEYEV-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pbab-edta (CAS 86375-28-2), with molecular formula C19H24BrN3O9 and molecular weight 517.07 g/mol. IUPAC: 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Pbab-edta
Property Insights of Pbab-edta
The XLogP value of -3.9 indicates that Pbab-edta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Pbab-edta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pbab-edta has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pbab-edta?
The CAS number of Pbab-edta is 86375-28-2.
What is the molecular formula of Pbab-edta?
The molecular formula of Pbab-edta is C19H24BrN3O9.
What is the molecular weight of Pbab-edta?
The molecular weight of Pbab-edta is 517.07 g/mol.
Where can I buy Pbab-edta?
You can request a quote for Pbab-edta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pbab-edta?
Yes, KEHONG BIO provides custom synthesis services for Pbab-edta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.