I04-8826
TL;DR: I04-8826 (CAS 68492-71-7) is a chemical compound with molecular formula C27H60O14 and molecular weight 608.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol
Also Known As: I04-8826, (C6-H14-O3.C6-H14-O2.C6-H10-O4.C5-H12-O2.C4-H10-O3)x-, 2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol, Diethylene glycol, 1,6-hexanediol, neopentyl glycol, trimethylolpropane, adipic acid pentapolymer, Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol and 2,2'-oxybis[ethanol]
| Molecular Formula | C27H60O14 |
|---|---|
| Molecular Weight | 608.40 g/mol |
| LogP | -0.4081 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Exact Mass | 608.3983 |
| Heavy Atoms | 41 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 68492-71-7 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O |
| InChIKey | JBYXCSZTQSYGOT-UHFFFAOYSA-N |
Product Overview
I04-8826 (CAS 68492-71-7), with molecular formula C27H60O14 and molecular weight 608.40 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol.
Chemical Property Profile of I04-8826
Property Insights of I04-8826
The XLogP value of -0.4081 indicates that I04-8826 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting I04-8826 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I04-8826 has 11 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I04-8826?
The CAS number of I04-8826 is 68492-71-7.
What is the molecular formula of I04-8826?
The molecular formula of I04-8826 is C27H60O14.
What is the molecular weight of I04-8826?
The molecular weight of I04-8826 is 608.40 g/mol.
Where can I buy I04-8826?
You can request a quote for I04-8826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I04-8826?
Yes, KEHONG BIO provides custom synthesis services for I04-8826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.