2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid
TL;DR: 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid (CAS 148345-96-4) is a chemical compound with molecular formula C18H33N3O9 and molecular weight 435.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[10,16-bis(carboxymethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]acetic acid
Also Known As: 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid, 2-[10,16-bis(carboxymethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]acetic Acid, 1,7,13-Triaza-4,10,16-trioxacyclooctadecane-1,7,13-triacetic acid, 2-[10,16-bis(carboxymethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecan-4-yl]acetic acid, 2,2 ,2 -[(1,7,13-Trioxa-4,10,16-triazacyclooctadecane)-4,10,16-triyl]trisacetic acid
| Molecular Formula | C18H33N3O9 |
|---|---|
| Molecular Weight | 435.22 g/mol |
| LogP | -8.4 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.22168 |
| Heavy Atoms | 30 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 148345-96-4 |
|---|---|
| SMILES | C1COCCN(CCOCCN(CCOCCN1CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | HQMSLMXYNLKBAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid (CAS 148345-96-4), with molecular formula C18H33N3O9 and molecular weight 435.22 g/mol. IUPAC: 2-[10,16-bis(carboxymethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]acetic acid.
Chemical Property Profile of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid
Property Insights of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid
The XLogP value of -8.4 indicates that 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid?
The CAS number of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid is 148345-96-4.
What is the molecular formula of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid?
The molecular formula of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid is C18H33N3O9.
What is the molecular weight of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid?
The molecular weight of 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid is 435.22 g/mol.
Where can I buy 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid?
You can request a quote for 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2',2''-(1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triyl)triacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.