Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid
TL;DR: Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid (CAS 169698-13-9) is a chemical compound with molecular formula C10H19N3O4 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
Also Known As: 2,2'-(1,4,7-triazonane-1,4-diyl)diacetic acid, 2-[4-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid, NCI60_034502, 1,4,7-Triazacyclononane-1,4-bisacetic acid, 1,4,7-triazacyclononane-1,4-diacetic acid
| Molecular Formula | C10H19N3O4 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.13756 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 169698-13-9 |
|---|---|
| SMILES | C1CN(CCN(CCN1)CC(=O)O)CC(=O)O |
| InChIKey | WBRUPBYQJCBBBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid (CAS 169698-13-9), with molecular formula C10H19N3O4 and molecular weight 245.14 g/mol. IUPAC: 2-[4-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid.
Chemical Property Profile of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid
Property Insights of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid
The XLogP value of -5.7 indicates that Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid. Following Lipinski's Rule of Five, Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid has 3 hydrogen bond donor(s) and 7 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 Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid?
The CAS number of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid is 169698-13-9.
What is the molecular formula of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid?
The molecular formula of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid is C10H19N3O4.
What is the molecular weight of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid?
The molecular weight of Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid is 245.14 g/mol.
Where can I buy Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid?
You can request a quote for Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.