Propanoic acid, 2-hydroxy-, octyl ester
TL;DR: Propanoic acid, 2-hydroxy-, octyl ester (CAS 5464-71-1) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-hydroxypropanoate
Also Known As: octyl lactate, n-octyl lactate, octyl 2-hydroxypropanoate, octyl lactylate, OCTYLLACTATE
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5464-71-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C)O |
| InChIKey | SFBIZPBTKROSDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-hydroxy-, octyl ester (CAS 5464-71-1), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: octyl 2-hydroxypropanoate.
Chemical Property Profile of Propanoic acid, 2-hydroxy-, octyl ester
Property Insights of Propanoic acid, 2-hydroxy-, octyl ester
The XLogP value of 3.2 indicates that Propanoic acid, 2-hydroxy-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Propanoic acid, 2-hydroxy-, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-hydroxy-, octyl ester 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 Propanoic acid, 2-hydroxy-, octyl ester?
The CAS number of Propanoic acid, 2-hydroxy-, octyl ester is 5464-71-1.
What is the molecular formula of Propanoic acid, 2-hydroxy-, octyl ester?
The molecular formula of Propanoic acid, 2-hydroxy-, octyl ester is C11H22O3.
What is the molecular weight of Propanoic acid, 2-hydroxy-, octyl ester?
The molecular weight of Propanoic acid, 2-hydroxy-, octyl ester is 202.16 g/mol.
Where can I buy Propanoic acid, 2-hydroxy-, octyl ester?
You can request a quote for Propanoic acid, 2-hydroxy-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-hydroxy-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-hydroxy-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.