![3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid structure](/static/products/1129/112995-07-0.webp)
3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
TL;DR: 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid (CAS 112995-07-0) is a chemical compound with molecular formula C15H27N3O6 and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
Also Known As: NCI60_034506, 3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid, 1,4,7-Triazacyclononane-1,4,7-tripropionic acid, J1.750.895D, 1H-1,4,7-Triazonine-1,4,7-tripropanoic acid, hexahydro-
| Molecular Formula | C15H27N3O6 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | -8.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 345.18997 |
| Heavy Atoms | 24 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 112995-07-0 |
|---|---|
| SMILES | C1CN(CCN(CCN1CCC(=O)O)CCC(=O)O)CCC(=O)O |
| InChIKey | XTBYGWFSZYYULT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid (CAS 112995-07-0), with molecular formula C15H27N3O6 and molecular weight 345.19 g/mol. IUPAC: 3-[4,7-bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid.
Chemical Property Profile of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
Property Insights of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid
The XLogP value of -8.2 indicates that 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid?
The CAS number of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid is 112995-07-0.
What is the molecular formula of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid?
The molecular formula of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid is C15H27N3O6.
What is the molecular weight of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid?
The molecular weight of 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid is 345.19 g/mol.
Where can I buy 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid?
You can request a quote for 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.