RefChem:71501
TL;DR: RefChem:71501 (CAS 68083-35-2) is a chemical compound with molecular formula C21H17N3O6 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3,5-tricarboxylic acid;3-(2-phenylimidazol-1-yl)propanenitrile
Also Known As: 1-Cyanoethyl-2-phenylimidazoletrimellitate (1:1), 1,2,4-Benzenetricarboxylic acid, compd. with 2-phenyl-1H-imidazole-1-propanenitrile (1:1), Trimellitic acid 1-cyanoethyl-2-phenylimidazole salt (1:1), benzene-1,3,5-tricarboxylic acid- 3-(2-phenyl-1h-imidazol-1-yl)propanenitrile(1:1), benzene-1,3,5-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile
| Molecular Formula | C21H17N3O6 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.11172 |
| Heavy Atoms | 30 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 68083-35-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | QJSQHECLPTYPNR-UHFFFAOYSA-N |
Product Overview
RefChem:71501 (CAS 68083-35-2), with molecular formula C21H17N3O6 and molecular weight 407.11 g/mol. IUPAC: benzene-1,3,5-tricarboxylic acid;3-(2-phenylimidazol-1-yl)propanenitrile.
Chemical Property Profile of RefChem:71501
Property Insights of RefChem:71501
The XLogP value of 3.24 indicates that RefChem:71501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:71501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71501 has 3 hydrogen bond donor(s) and 8 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 RefChem:71501?
The CAS number of RefChem:71501 is 68083-35-2.
What is the molecular formula of RefChem:71501?
The molecular formula of RefChem:71501 is C21H17N3O6.
What is the molecular weight of RefChem:71501?
The molecular weight of RefChem:71501 is 407.11 g/mol.
Where can I buy RefChem:71501?
You can request a quote for RefChem:71501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.