Einecs 256-388-9
TL;DR: Einecs 256-388-9 (CAS 63592-54-1) is a chemical compound with molecular formula C18H19N3O6 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,4-tricarboxylic acid;3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
Also Known As: EINECS 256-388-9, Benzene-1,2,4-tricarboxylic acid, compound with 2-ethyl-4-methyl-1H-imidazole-1-propiononitrile, 1-Cyanoethyl-2-ethyl-4-methylimidazoletrimellitate, benzene-1,2,4-tricarboxylic acid,3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile, benzene-1,2,4-tricarboxylic acid; 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
| Molecular Formula | C18H19N3O6 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 2.4488 |
| Topological Polar Surface Area | 153.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.12738 |
| Heavy Atoms | 27 |
| Complexity | 894.9873 |
Chemical Identifiers
| CAS Number | 63592-54-1 |
|---|---|
| SMILES | CCC1=NC(=CN1CCC#N)C.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
Product Overview
Einecs 256-388-9 (CAS 63592-54-1), with molecular formula C18H19N3O6 and molecular weight 373.13 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile.
Chemical Property Profile of Einecs 256-388-9
Property Insights of Einecs 256-388-9
The XLogP value of 2.4488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 256-388-9. The TPSA of 153.51 Ų indicates high polarity, suggesting Einecs 256-388-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 256-388-9 has 3 hydrogen bond donor(s) and 5 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 Einecs 256-388-9?
The CAS number of Einecs 256-388-9 is 63592-54-1.
What is the molecular formula of Einecs 256-388-9?
The molecular formula of Einecs 256-388-9 is C18H19N3O6.
What is the molecular weight of Einecs 256-388-9?
The molecular weight of Einecs 256-388-9 is 373.13 g/mol.
Where can I buy Einecs 256-388-9?
You can request a quote for Einecs 256-388-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 256-388-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 256-388-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.