CTK8D8653
TL;DR: CTK8D8653 (CAS 68441-94-1) is a chemical compound with molecular formula C17H36O8 and molecular weight 368.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexanoic acid;2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;pentanoic acid
Also Known As: EC 270-474-3, Heptanoic acid, mixed esters with pentaerythritol and valeric acid, hexanoic acid; 2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol; pentanoic acid, Pentaerythritol, valeric acid, enanthylic acid esters, Pentaerythritol, valeric acid, heptanoic acid mixed esters
| Molecular Formula | C17H36O8 |
|---|---|
| Molecular Weight | 368.24 g/mol |
| LogP | 1.51 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 368.24103 |
| Heavy Atoms | 25 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 68441-94-1 |
|---|---|
| SMILES | CCCCCC(=O)O.CCCCC(=O)O.COCC(CO)(CO)CO |
| InChIKey | VZTZVAXBYIKIOD-UHFFFAOYSA-N |
Product Overview
CTK8D8653 (CAS 68441-94-1), with molecular formula C17H36O8 and molecular weight 368.24 g/mol. IUPAC: hexanoic acid;2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;pentanoic acid.
Chemical Property Profile of CTK8D8653
Property Insights of CTK8D8653
The XLogP value of 1.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK8D8653. The TPSA of 145.0 Ų indicates high polarity, suggesting CTK8D8653 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK8D8653 has 5 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 CTK8D8653?
The CAS number of CTK8D8653 is 68441-94-1.
What is the molecular formula of CTK8D8653?
The molecular formula of CTK8D8653 is C17H36O8.
What is the molecular weight of CTK8D8653?
The molecular weight of CTK8D8653 is 368.24 g/mol.
Where can I buy CTK8D8653?
You can request a quote for CTK8D8653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D8653?
Yes, KEHONG BIO provides custom synthesis services for CTK8D8653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.