Isonel 678
TL;DR: Isonel 678 (CAS 26061-97-2) is a chemical compound with molecular formula C19H27N3O12 and molecular weight 489.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-diol;terephthalic acid;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
Also Known As: Isonel 678, (C9-H15-N3-O6.C8-H6-O4.C2-H6-O2)x-, ethylene glycol; terephthalic acid; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione, 1,4-Benzenedicarboxylic acid, polymer with 1,2-ethanediol and 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, Ethane-1,2-diol; Terephthalic Acid; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
| Molecular Formula | C19H27N3O12 |
|---|---|
| Molecular Weight | 489.16 g/mol |
| LogP | -3.7974 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.1595 |
| Heavy Atoms | 34 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 26061-97-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO.C(CO)O |
| InChIKey | WYDLOQSFXQGXDN-UHFFFAOYSA-N |
Product Overview
Isonel 678 (CAS 26061-97-2), with molecular formula C19H27N3O12 and molecular weight 489.16 g/mol. IUPAC: ethane-1,2-diol;terephthalic acid;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Isonel 678
Property Insights of Isonel 678
The XLogP value of -3.7974 indicates that Isonel 678 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.0 Ų indicates high polarity, suggesting Isonel 678 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isonel 678 has 7 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 Isonel 678?
The CAS number of Isonel 678 is 26061-97-2.
What is the molecular formula of Isonel 678?
The molecular formula of Isonel 678 is C19H27N3O12.
What is the molecular weight of Isonel 678?
The molecular weight of Isonel 678 is 489.16 g/mol.
Where can I buy Isonel 678?
You can request a quote for Isonel 678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonel 678?
Yes, KEHONG BIO provides custom synthesis services for Isonel 678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.