1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid
TL;DR: 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid (CAS 96497-84-6) is a chemical compound with molecular formula C24H42N6O12 and molecular weight 606.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4,7,10,13,16-pentakis(carboxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid
Also Known As: 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid, 1,4,7,10,13,16-hexaaza-cyclooctadecane-1,4,7,10,13,16-hexaacetic acid, 2,2',2'',2''',2'''',2'''''-(1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexayl)hexaacetic acid, 2-[4,7,10,13,16-pentakis(carboxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic Acid, RefChem:219875
| Molecular Formula | C24H42N6O12 |
|---|---|
| Molecular Weight | 606.29 g/mol |
| LogP | -3.6804 |
| Topological Polar Surface Area | 243.24 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.2861 |
| Heavy Atoms | 42 |
| Complexity | 712.2608 |
Chemical Identifiers
| CAS Number | 96497-84-6 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
Product Overview
1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid (CAS 96497-84-6), with molecular formula C24H42N6O12 and molecular weight 606.29 g/mol. IUPAC: 2-[4,7,10,13,16-pentakis(carboxymethyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid.
Chemical Property Profile of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid
Property Insights of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid
The XLogP value of -3.6804 indicates that 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 243.24 Ų indicates high polarity, suggesting 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid has 6 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 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid?
The CAS number of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid is 96497-84-6.
What is the molecular formula of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid?
The molecular formula of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid is C24H42N6O12.
What is the molecular weight of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid?
The molecular weight of 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid is 606.29 g/mol.
Where can I buy 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid?
You can request a quote for 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13,16-Hexaazacyclooctadecane-1,4,7,10,13,16-hexaaceticacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.