12-Oxo-9-octadecynoic acid
TL;DR: 12-Oxo-9-octadecynoic acid (CAS 68396-17-8) is a chemical compound with molecular formula C18H30O3 and molecular weight 294.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxooctadec-9-ynoic acid
Also Known As: 9-Octadecynoic acid, 12-oxo-, 12-oxooctadec-9-ynoic acid, 12-Oxo-9-octadecynoic acid, Stearolic acid, 12-oxo-, 12-keto-9-octadecynoic acid
| Molecular Formula | C18H30O3 |
|---|---|
| Molecular Weight | 294.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 294.21948 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 68396-17-8 |
|---|---|
| SMILES | CCCCCCC(=O)CC#CCCCCCCCC(=O)O |
| InChIKey | OWWCANRSILCUCQ-UHFFFAOYSA-N |
Product Overview
12-Oxo-9-octadecynoic acid (CAS 68396-17-8), with molecular formula C18H30O3 and molecular weight 294.22 g/mol. IUPAC: 12-oxooctadec-9-ynoic acid.
Chemical Property Profile of 12-Oxo-9-octadecynoic acid
Property Insights of 12-Oxo-9-octadecynoic acid
The XLogP value of 5.0 indicates that 12-Oxo-9-octadecynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 12-Oxo-9-octadecynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxo-9-octadecynoic acid 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 12-Oxo-9-octadecynoic acid?
The CAS number of 12-Oxo-9-octadecynoic acid is 68396-17-8.
What is the molecular formula of 12-Oxo-9-octadecynoic acid?
The molecular formula of 12-Oxo-9-octadecynoic acid is C18H30O3.
What is the molecular weight of 12-Oxo-9-octadecynoic acid?
The molecular weight of 12-Oxo-9-octadecynoic acid is 294.22 g/mol.
Where can I buy 12-Oxo-9-octadecynoic acid?
You can request a quote for 12-Oxo-9-octadecynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxo-9-octadecynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxo-9-octadecynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.