RefChem:117347
TL;DR: RefChem:117347 (CAS 54553-88-7) is a chemical compound with molecular formula C27H26N4O6 and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,4-tricarboxylic acid;bis(2-phenyl-4,5-dihydro-1H-imidazole)
Also Known As: EINECS 259-223-9, C9H10N2.1/2C9H6O6, C9-H10-N2.1/2C9-H6-O6, Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:2), benzene-1,2,4-tricarboxylic acid; 2-phenyl-4,5-dihydro-1H-imidazole
| Molecular Formula | C27H26N4O6 |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 2.854 |
| Topological Polar Surface Area | 160.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.18524 |
| Heavy Atoms | 37 |
| Complexity | 1247.4863 |
Chemical Identifiers
| CAS Number | 54553-88-7 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=CC=C2.C1CN=C(N1)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
Product Overview
RefChem:117347 (CAS 54553-88-7), with molecular formula C27H26N4O6 and molecular weight 502.19 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;bis(2-phenyl-4,5-dihydro-1H-imidazole).
Chemical Property Profile of RefChem:117347
Property Insights of RefChem:117347
The XLogP value of 2.854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117347. The TPSA of 160.68 Ų indicates high polarity, suggesting RefChem:117347 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117347 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117347?
The CAS number of RefChem:117347 is 54553-88-7.
What is the molecular formula of RefChem:117347?
The molecular formula of RefChem:117347 is C27H26N4O6.
What is the molecular weight of RefChem:117347?
The molecular weight of RefChem:117347 is 502.19 g/mol.
Where can I buy RefChem:117347?
You can request a quote for RefChem:117347 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117347?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.