Octyl hydroxyacetate
TL;DR: Octyl hydroxyacetate (CAS 6779-95-9) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-hydroxyacetate
Also Known As: octyl hydroxyacetate, octyl 2-hydroxyacetate, Acetic acid,2-hydroxy-,octyl ester, Acetic acid,2-hydroxy-, octyl ester
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 6779-95-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CO |
| InChIKey | FKUVGXBVCSQMHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl hydroxyacetate (CAS 6779-95-9), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: octyl 2-hydroxyacetate.
Chemical Property Profile of Octyl hydroxyacetate
Property Insights of Octyl hydroxyacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octyl hydroxyacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Octyl hydroxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl hydroxyacetate has 1 hydrogen bond donor(s) and 3 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 Octyl hydroxyacetate?
The CAS number of Octyl hydroxyacetate is 6779-95-9.
What is the molecular formula of Octyl hydroxyacetate?
The molecular formula of Octyl hydroxyacetate is C10H20O3.
What is the molecular weight of Octyl hydroxyacetate?
The molecular weight of Octyl hydroxyacetate is 188.14 g/mol.
Where can I buy Octyl hydroxyacetate?
You can request a quote for Octyl hydroxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl hydroxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl hydroxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.