Butyl 2-hydroxyoctanoate
TL;DR: Butyl 2-hydroxyoctanoate (CAS 18295-02-8) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-hydroxyoctanoate
Also Known As: butyl 2-hydroxyoctanoate, butyl 2-hydroxy caprylate, 2-hydroxyoctanoic acid butyl ester, J2.018.497C
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 18295-02-8 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCCCC)O |
| InChIKey | UPDJYNWVCBAVCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-hydroxyoctanoate (CAS 18295-02-8), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: butyl 2-hydroxyoctanoate.
Chemical Property Profile of Butyl 2-hydroxyoctanoate
Property Insights of Butyl 2-hydroxyoctanoate
The XLogP value of 3.6 indicates that Butyl 2-hydroxyoctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Butyl 2-hydroxyoctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-hydroxyoctanoate 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 Butyl 2-hydroxyoctanoate?
The CAS number of Butyl 2-hydroxyoctanoate is 18295-02-8.
What is the molecular formula of Butyl 2-hydroxyoctanoate?
The molecular formula of Butyl 2-hydroxyoctanoate is C12H24O3.
What is the molecular weight of Butyl 2-hydroxyoctanoate?
The molecular weight of Butyl 2-hydroxyoctanoate is 216.17 g/mol.
Where can I buy Butyl 2-hydroxyoctanoate?
You can request a quote for Butyl 2-hydroxyoctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-hydroxyoctanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-hydroxyoctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.