1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-
TL;DR: 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- (CAS 93031-56-2) is a chemical compound with molecular formula C13H22N4O6 and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(carboxymethyl)-2,9-dioxo-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid
Also Known As: 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-, 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid,2,9-dioxo, 2,9-Dioxo-1,4,7,10-tetraazacyclotridecane-4,7-diacetic acid, 2-[7-(carboxymethyl)-2,9-dioxo-1,4,7,10-tetrazacyclotridec-4-yl]acetic Acid, 6,12-Dioxo-1,4,7,11-tetraazacyclotridecane-1,4-bisacetic acid
| Molecular Formula | C13H22N4O6 |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | -2.6043 |
| Topological Polar Surface Area | 139.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.15393 |
| Heavy Atoms | 23 |
| Complexity | 415.7457 |
Chemical Identifiers
| CAS Number | 93031-56-2 |
|---|---|
| SMILES | C1CNC(=O)CN(CCN(CC(=O)NC1)CC(=O)O)CC(=O)O |
Product Overview
1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- (CAS 93031-56-2), with molecular formula C13H22N4O6 and molecular weight 330.15 g/mol. IUPAC: 2-[7-(carboxymethyl)-2,9-dioxo-1,4,7,10-tetrazacyclotridec-4-yl]acetic acid.
Chemical Property Profile of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-
Property Insights of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-
The XLogP value of -2.6043 indicates that 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-. Following Lipinski's Rule of Five, 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- has 4 hydrogen bond donor(s) and 6 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 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-?
The CAS number of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- is 93031-56-2.
What is the molecular formula of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-?
The molecular formula of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- is C13H22N4O6.
What is the molecular weight of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-?
The molecular weight of 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- is 330.15 g/mol.
Where can I buy 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-?
You can request a quote for 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- 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-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10-Tetraazacyclotridecane-4,7-diacetic acid, 2,9-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.