9,12-Dioxooctadecanoic acid
TL;DR: 9,12-Dioxooctadecanoic acid (CAS 4179-48-0) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,12-dioxooctadecanoic acid
Also Known As: 9,12-dioxooctadecanoic acid, Octadecanoic acid, 9,12-dioxo-, 9.12-Diketooctadecansaeure, NCIOpen2_007592, Octadecanoic acid,12-dioxo-
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 4179-48-0 |
|---|---|
| SMILES | CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O |
| InChIKey | XZWUJWRGRUQXOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,12-Dioxooctadecanoic acid (CAS 4179-48-0), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: 9,12-dioxooctadecanoic acid.
Chemical Property Profile of 9,12-Dioxooctadecanoic acid
Property Insights of 9,12-Dioxooctadecanoic acid
The XLogP value of 3.8 indicates that 9,12-Dioxooctadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,12-Dioxooctadecanoic acid. Following Lipinski's Rule of Five, 9,12-Dioxooctadecanoic 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 9,12-Dioxooctadecanoic acid?
The CAS number of 9,12-Dioxooctadecanoic acid is 4179-48-0.
What is the molecular formula of 9,12-Dioxooctadecanoic acid?
The molecular formula of 9,12-Dioxooctadecanoic acid is C18H32O4.
What is the molecular weight of 9,12-Dioxooctadecanoic acid?
The molecular weight of 9,12-Dioxooctadecanoic acid is 312.23 g/mol.
Where can I buy 9,12-Dioxooctadecanoic acid?
You can request a quote for 9,12-Dioxooctadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12-Dioxooctadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,12-Dioxooctadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.