Einecs 256-372-1
TL;DR: Einecs 256-372-1 (CAS 49556-76-5) is a chemical compound with molecular formula C16H15N3O6 and molecular weight 345.10 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-methylimidazol-1-yl)propanenitrile
Also Known As: EINECS 256-372-1, Benzene-1,2,4-tricarboxylic acid, compound with 2-methyl-1H-imidazole-1-propiononitrile (1:1), benzene-1,2,4-tricarboxylic acid,3-(2-methylimidazol-1-yl)propanenitrile, benzene-1,2,4-tricarboxylic acid; 3-(2-methylimidazol-1-yl)propanenitrile, Benzene-1,2,4-tricarboxylic acid--3-(2-methyl-1H-imidazol-1-yl)propanenitrile (1/1)
| Molecular Formula | C16H15N3O6 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 1.8864 |
| Topological Polar Surface Area | 153.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.0961 |
| Heavy Atoms | 25 |
| Complexity | 834.63586 |
Chemical Identifiers
| CAS Number | 49556-76-5 |
|---|---|
| SMILES | CC1=NC=CN1CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
Product Overview
Einecs 256-372-1 (CAS 49556-76-5), with molecular formula C16H15N3O6 and molecular weight 345.10 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;3-(2-methylimidazol-1-yl)propanenitrile.
Chemical Property Profile of Einecs 256-372-1
Property Insights of Einecs 256-372-1
The XLogP value of 1.8864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 256-372-1. The TPSA of 153.51 Ų indicates high polarity, suggesting Einecs 256-372-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 256-372-1 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 256-372-1?
The CAS number of Einecs 256-372-1 is 49556-76-5.
What is the molecular formula of Einecs 256-372-1?
The molecular formula of Einecs 256-372-1 is C16H15N3O6.
What is the molecular weight of Einecs 256-372-1?
The molecular weight of Einecs 256-372-1 is 345.10 g/mol.
Where can I buy Einecs 256-372-1?
You can request a quote for Einecs 256-372-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 256-372-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 256-372-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.