12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid
TL;DR: 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid (CAS 128924-91-4) is a chemical compound with molecular formula C24H35N5O10 and molecular weight 553.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,7,10-tris(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid
Also Known As: 12-Nbtcta, 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid, 2-[1,7,10-tris(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid, 1,4,7,10-Tetraazacyclotridecane-1,4,7,10-tetraaceticacid, 12-[(4-nitrophenyl)methyl]-, 12-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid
| Molecular Formula | C24H35N5O10 |
|---|---|
| Molecular Weight | 553.24 g/mol |
| LogP | -8.5 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 553.2384 |
| Heavy Atoms | 39 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 128924-91-4 |
|---|---|
| SMILES | C1CN(CCN(CC(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)CC(=O)O |
| InChIKey | YKFLNSYWPDARTR-UHFFFAOYSA-N |
Product Overview
12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid (CAS 128924-91-4), with molecular formula C24H35N5O10 and molecular weight 553.24 g/mol. IUPAC: 2-[1,7,10-tris(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid.
Chemical Property Profile of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid
Property Insights of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid
The XLogP value of -8.5 indicates that 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid has 4 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 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid?
The CAS number of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid is 128924-91-4.
What is the molecular formula of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid?
The molecular formula of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid is C24H35N5O10.
What is the molecular weight of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid?
The molecular weight of 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid is 553.24 g/mol.
Where can I buy 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid?
You can request a quote for 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.