5,5'-DINITRO BAPTA
TL;DR: 5,5'-DINITRO BAPTA (CAS 125367-32-0) is a chemical compound with molecular formula C22H22N4O14 and molecular weight 566.11 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]-4-nitrophenoxy]ethoxy]-N-(carboxymethyl)-5-nitroanilino]acetic acid
Also Known As: 5,5'-DINITRO BAPTA, 5,5'-Dinitro BAPTA free acid, 5,5'-DINITRO BAPTA, I14-32805, Glycine,N,N'-[1,2-ethanediylbis[oxy(4-nitro-2,1-phenylene)]]bis[N-(carboxymethyl)-(9CI)
| Molecular Formula | C22H22N4O14 |
|---|---|
| Molecular Weight | 566.11 g/mol |
| LogP | 0.912 |
| Topological Polar Surface Area | 260.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 566.1133 |
| Heavy Atoms | 40 |
| Complexity | 1182.9053 |
Chemical Identifiers
| CAS Number | 125367-32-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])N(CC(=O)O)CC(=O)O |
Product Overview
5,5'-DINITRO BAPTA (CAS 125367-32-0), with molecular formula C22H22N4O14 and molecular weight 566.11 g/mol. IUPAC: 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-nitrophenoxy]ethoxy]-N-(carboxymethyl)-5-nitroanilino]acetic acid.
Chemical Property Profile of 5,5'-DINITRO BAPTA
Property Insights of 5,5'-DINITRO BAPTA
The XLogP value of 0.912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-DINITRO BAPTA. The TPSA of 260.42 Ų indicates high polarity, suggesting 5,5'-DINITRO BAPTA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-DINITRO 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 5,5'-DINITRO BAPTA?
The CAS number of 5,5'-DINITRO BAPTA is 125367-32-0.
What is the molecular formula of 5,5'-DINITRO BAPTA?
The molecular formula of 5,5'-DINITRO BAPTA is C22H22N4O14.
What is the molecular weight of 5,5'-DINITRO BAPTA?
The molecular weight of 5,5'-DINITRO BAPTA is 566.11 g/mol.
Where can I buy 5,5'-DINITRO BAPTA?
You can request a quote for 5,5'-DINITRO BAPTA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-DINITRO BAPTA?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-DINITRO BAPTA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.