12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
TL;DR: 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid (CAS 128924-92-5) is a chemical compound with molecular formula C22H33N5O8 and molecular weight 495.2329 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid
Also Known As: 12-Nbtata, 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid, 2-[7,10-bis(carboxymethyl)-12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid, 1,4,7,10-Tetraazacyclotridecane-1,4,7-triaceticacid, 12-[(4-nitrophenyl)methyl]-, 12-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
Technical Specifications
| Molecular Formula | C22H33N5O8 |
| Molecular Weight | 495.2329 g/mol |
| XLogP | -6.3 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.2329 Da |
| Heavy Atoms | 35 |
| Complexity | 710.0 |
| SMILES | C1CN(CCN(CCN(CC(CN1)CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | FURLMJAWKCZJLD-UHFFFAOYSA-N |
Chemical Property Profile of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
Property Insights of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
The XLogP value of -6.3 indicates that 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic 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-triacetic acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid?
The CAS number of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid is 128924-92-5.
What is the molecular formula of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid?
The molecular formula of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid is C22H33N5O8.
What is the molecular weight of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid?
The molecular weight of 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid is 495.2329 g/mol.
Where can I buy 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid?
You can request a quote for 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid?
Yes, CoreyChem provides custom synthesis services for 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.