4OctOCO butyric acid
TL;DR: 4OctOCO butyric acid (CAS 97394-93-9) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-octoxy-5-oxopentanoic acid
Also Known As: 4OctOCO butyric acid, octyl hydrogen glutarate, 5-octoxy-5-oxopentanoic acid, 6-Oxa-5-oxotetradecanoic acid, 5-(octyloxy)-5-oxopentanoic acid
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 97394-93-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCC(=O)O |
| InChIKey | LSAYXLYDRZNCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4OctOCO butyric acid (CAS 97394-93-9), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: 5-octoxy-5-oxopentanoic acid.
Chemical Property Profile of 4OctOCO butyric acid
Property Insights of 4OctOCO butyric acid
The XLogP value of 3.2 indicates that 4OctOCO butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4OctOCO butyric acid. Following Lipinski's Rule of Five, 4OctOCO butyric acid has 1 hydrogen bond donor(s) and 4 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 4OctOCO butyric acid?
The CAS number of 4OctOCO butyric acid is 97394-93-9.
What is the molecular formula of 4OctOCO butyric acid?
The molecular formula of 4OctOCO butyric acid is C13H24O4.
What is the molecular weight of 4OctOCO butyric acid?
The molecular weight of 4OctOCO butyric acid is 244.17 g/mol.
Where can I buy 4OctOCO butyric acid?
You can request a quote for 4OctOCO butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4OctOCO butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4OctOCO butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.