VX4CPE4LMM
TL;DR: VX4CPE4LMM (CAS 85598-94-3) is a chemical compound with molecular formula C26H35N3O6 and molecular weight 485.25 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-undecylimidazol-1-yl)propanenitrile
Also Known As: Trimellitic acid 1-cyanoethyl-2-undecylimidazole salt, 1-Cyanoethyl-2-undecylimidazole, trimellitate, 1,2,4-Benzenetricarboxylic acid, compd. with 2-undecyl-1H-imidazole-1-propanenitrile, 1,2,4-Benzenetricarboxylic acid, compd. with 2-undecyl-1H-imidazole-1-propanenitrile (1:?), Benzene-1,2,4-tricarboxylic acid, compd. with 2-undecyl-1H-imidazole-1-propiononitrile (1:1)
| Molecular Formula | C26H35N3O6 |
|---|---|
| Molecular Weight | 485.25 g/mol |
| LogP | 5.65128 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 485.2526 |
| Heavy Atoms | 35 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 85598-94-3 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NC=CN1CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | HYTXDGPNBWYWDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
VX4CPE4LMM (CAS 85598-94-3), with molecular formula C26H35N3O6 and molecular weight 485.25 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;3-(2-undecylimidazol-1-yl)propanenitrile.
Chemical Property Profile of VX4CPE4LMM
Property Insights of VX4CPE4LMM
The XLogP value of 5.65128 indicates that VX4CPE4LMM is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting VX4CPE4LMM may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VX4CPE4LMM has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VX4CPE4LMM?
The CAS number of VX4CPE4LMM is 85598-94-3.
What is the molecular formula of VX4CPE4LMM?
The molecular formula of VX4CPE4LMM is C26H35N3O6.
What is the molecular weight of VX4CPE4LMM?
The molecular weight of VX4CPE4LMM is 485.25 g/mol.
Where can I buy VX4CPE4LMM?
You can request a quote for VX4CPE4LMM directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VX4CPE4LMM?
Yes, KEHONG BIO provides custom synthesis services for VX4CPE4LMM and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.