10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid
TL;DR: 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid (CAS 129162-88-5) is a chemical compound with molecular formula C17H24N4O6 and molecular weight 380.1696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid
Also Known As: PCTA, 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid, 2-[3,9-Bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid, 3,6,9,15-Tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-3,6,9-triacetic acid, 2,6-[(Carboxymethylimino)bis[ethylene(carboxymethylimino)methylene]]pyridine
Technical Specifications
| Molecular Formula | C17H24N4O6 |
| Molecular Weight | 380.1696 g/mol |
| XLogP | -7.6 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.1696 Da |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
| SMILES | C1CN(CC2=NC(=CC=C2)CN(CCN1CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | FDSYTWVNUJTPMA-UHFFFAOYSA-N |
Chemical Property Profile of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid
Property Insights of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid
The XLogP value of -7.6 indicates that 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid. Following Lipinski's Rule of Five, 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid?
The CAS number of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid is 129162-88-5.
What is the molecular formula of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid?
The molecular formula of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid is C17H24N4O6.
What is the molecular weight of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid?
The molecular weight of 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid is 380.1696 g/mol.
Where can I buy 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid?
You can request a quote for 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid?
Yes, CoreyChem provides custom synthesis services for 10,14-Epinitrilo-2,5,8-triazacyclotetradeca-10,12-diene-2,5,8-triacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.