EINECS 259-222-3
TL;DR: EINECS 259-222-3 (CAS 54553-87-6) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole
Also Known As: EINECS 259-222-3, Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1), benzene-1,2,4-tricarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole, benzene-1,2,4-tricarboxylic acid,2-phenyl-4,5-dihydro-1H-imidazole, Benzene-1,2,4-tricarboxylic acid--2-phenyl-4,5-dihydro-1H-imidazole (1/1)
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 1.8176 |
| Topological Polar Surface Area | 136.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 861.24 |
Chemical Identifiers
| CAS Number | 54553-87-6 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
Product Overview
EINECS 259-222-3 (CAS 54553-87-6), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole.
Chemical Property Profile of EINECS 259-222-3
Property Insights of EINECS 259-222-3
The XLogP value of 1.8176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-222-3. The TPSA of 136.29 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-222-3. Following Lipinski's Rule of Five, EINECS 259-222-3 has 4 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 259-222-3?
The CAS number of EINECS 259-222-3 is 54553-87-6.
What is the molecular formula of EINECS 259-222-3?
The molecular formula of EINECS 259-222-3 is C18H16N2O6.
What is the molecular weight of EINECS 259-222-3?
The molecular weight of EINECS 259-222-3 is 356.10 g/mol.
Where can I buy EINECS 259-222-3?
You can request a quote for EINECS 259-222-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-222-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-222-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.