Bapta
TL;DR: Bapta (CAS 85233-19-8) is a chemical compound with molecular formula C22H24N2O10 and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid
Also Known As: BAPTA, Bapeta, Ca(II)-bapta, 5F-Bapta, 1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
| Molecular Formula | C22H24N2O10 |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 476.1431 |
| Heavy Atoms | 34 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 85233-19-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N(CC(=O)O)CC(=O)O)OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O |
| InChIKey | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bapta (CAS 85233-19-8), with molecular formula C22H24N2O10 and molecular weight 476.14 g/mol. IUPAC: 2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid.
Chemical Property Profile of Bapta
Property Insights of Bapta
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bapta. The TPSA of 174.0 Ų indicates high polarity, suggesting Bapta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bapta has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bapta?
The CAS number of Bapta is 85233-19-8.
What is the molecular formula of Bapta?
The molecular formula of Bapta is C22H24N2O10.
What is the molecular weight of Bapta?
The molecular weight of Bapta is 476.14 g/mol.
Where can I buy Bapta?
You can request a quote for Bapta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bapta?
Yes, KEHONG BIO provides custom synthesis services for Bapta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.