RefChem:71505
TL;DR: RefChem:71505 (CAS 68954-03-0) is a chemical compound with molecular formula C46H68O18 and molecular weight 908.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,2,4-tricarboxylic acid;benzoic acid;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol;phthalic acid;tridecan-1-ol
Also Known As: 1,2,4-Benzenetricarboxylic acid, mixed esters with benzoic acid, diethylene glycol, neopentyl glycol, phthalic acid and 1-tridecanol, benzene-1,2,4-tricarboxylic acid; benzoic acid; 2,2-dimethylpropane-1,3-diol; 2-(2-hydroxyethoxy)ethanol; phthalic acid; tridecan-1-ol, Benzene-1,2,4-tricarboxylic acid;benzoic acid;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol;phthalic acid;tridecan-1-ol, RefChem:71505
| Molecular Formula | C46H68O18 |
|---|---|
| Molecular Weight | 908.44 g/mol |
| LogP | 6.52 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Exact Mass | 908.44055 |
| Heavy Atoms | 64 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 68954-03-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCO.CC(C)(CO)CO.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.C(COCCO)O |
| InChIKey | XCSQYURMWBQNQB-UHFFFAOYSA-N |
Product Overview
RefChem:71505 (CAS 68954-03-0), with molecular formula C46H68O18 and molecular weight 908.44 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;benzoic acid;2,2-dimethylpropane-1,3-diol;2-(2-hydroxyethoxy)ethanol;phthalic acid;tridecan-1-ol.
Chemical Property Profile of RefChem:71505
Property Insights of RefChem:71505
The XLogP value of 6.52 indicates that RefChem:71505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 334.0 Ų indicates high polarity, suggesting RefChem:71505 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71505 has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:71505?
The CAS number of RefChem:71505 is 68954-03-0.
What is the molecular formula of RefChem:71505?
The molecular formula of RefChem:71505 is C46H68O18.
What is the molecular weight of RefChem:71505?
The molecular weight of RefChem:71505 is 908.44 g/mol.
Where can I buy RefChem:71505?
You can request a quote for RefChem:71505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71505?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.