Bis(2-carboxyethyl) Isocyanurate
TL;DR: Bis(2-carboxyethyl) Isocyanurate (CAS 3459-80-1) is a chemical compound with molecular formula C9H11N3O7 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
Also Known As: Bis(2-carboxyethyl) Isocyanurate, bis(2-carboxyethyl)isocyanurate, 3,3'-(2,4,6-trioxo-1,3,5-triazinane-1,3-diyl)dipropanoic acid, 4-Trimethylsilyl-3-butyn-2-one, 1,3,5-Triazine-1,3(2H,4H)-dipropanoic acid, dihydro-2,4,6-trioxo-
| Molecular Formula | C9H11N3O7 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.0597 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 3459-80-1 |
|---|---|
| SMILES | C(CN1C(=O)NC(=O)N(C1=O)CCC(=O)O)C(=O)O |
| InChIKey | JCUMQTAAEUDUPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-carboxyethyl) Isocyanurate (CAS 3459-80-1), with molecular formula C9H11N3O7 and molecular weight 273.06 g/mol. IUPAC: 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid.
Chemical Property Profile of Bis(2-carboxyethyl) Isocyanurate
Property Insights of Bis(2-carboxyethyl) Isocyanurate
The XLogP value of -1.8 indicates that Bis(2-carboxyethyl) Isocyanurate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting Bis(2-carboxyethyl) Isocyanurate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-carboxyethyl) Isocyanurate 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 Bis(2-carboxyethyl) Isocyanurate?
The CAS number of Bis(2-carboxyethyl) Isocyanurate is 3459-80-1.
What is the molecular formula of Bis(2-carboxyethyl) Isocyanurate?
The molecular formula of Bis(2-carboxyethyl) Isocyanurate is C9H11N3O7.
What is the molecular weight of Bis(2-carboxyethyl) Isocyanurate?
The molecular weight of Bis(2-carboxyethyl) Isocyanurate is 273.06 g/mol.
Where can I buy Bis(2-carboxyethyl) Isocyanurate?
You can request a quote for Bis(2-carboxyethyl) Isocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-carboxyethyl) Isocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-carboxyethyl) Isocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.