1,4,7-triazacyclononane-N,N',N''-tris
TL;DR: 1,4,7-triazacyclononane-N,N',N''-tris (CAS 133587-14-1) is a chemical compound with molecular formula C15H39N3O18P6 and molecular weight 735.0654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[4,7-bis[[ethoxy(hydroxy)phosphoryl]-phosphonomethyl]-1,4,7-triazonan-1-yl]-[ethoxy(hydroxy)phosphoryl]methyl]phosphonic acid
Also Known As: 1,4,7-triazacyclononane-N,N',N''-tris
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H39N3O18P6 |
| Molecular Weight | 735.0654 g/mol |
| XLogP | -14.2 |
| Topological Polar Surface Area (TPSA) | 322.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 15 |
| Exact Mass | 735.0654 Da |
| Heavy Atoms | 42 |
| Complexity | 1030.0 |
| SMILES | CCOP(=O)(C(N1CCN(CCN(CC1)C(P(=O)(O)O)P(=O)(O)OCC)C(P(=O)(O)O)P(=O)(O)OCC)P(=O)(O)O)O |
| InChIKey | VWUUXLPVMQCCKX-UHFFFAOYSA-N |
Chemical Property Profile of 1,4,7-triazacyclononane-N,N',N''-tris
Property Insights of 1,4,7-triazacyclononane-N,N',N''-tris
The XLogP value of -14.2 indicates that 1,4,7-triazacyclononane-N,N',N''-tris is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 322.0 Ų indicates high polarity, suggesting 1,4,7-triazacyclononane-N,N',N''-tris may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,7-triazacyclononane-N,N',N''-tris has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4,7-triazacyclononane-N,N',N''-tris?
The CAS number of 1,4,7-triazacyclononane-N,N',N''-tris is 133587-14-1.
What is the molecular formula of 1,4,7-triazacyclononane-N,N',N''-tris?
The molecular formula of 1,4,7-triazacyclononane-N,N',N''-tris is C15H39N3O18P6.
What is the molecular weight of 1,4,7-triazacyclononane-N,N',N''-tris?
The molecular weight of 1,4,7-triazacyclononane-N,N',N''-tris is 735.0654 g/mol.
Where can I buy 1,4,7-triazacyclononane-N,N',N''-tris?
You can request a quote for 1,4,7-triazacyclononane-N,N',N''-tris directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4,7-triazacyclononane-N,N',N''-tris?
Yes, CoreyChem provides custom synthesis services for 1,4,7-triazacyclononane-N,N',N''-tris and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.