12-Oxooctadec-9-enoic acid
TL;DR: 12-Oxooctadec-9-enoic acid (CAS 5455-97-0) is a chemical compound with molecular formula C18H32O3 and molecular weight 296.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxooctadec-9-enoic acid
Also Known As: 12-oxooctadec-9-enoic acid, NCIOpen2_002583, 9-Octadecenoic acid,12-oxo-, (9Z)-
| Molecular Formula | C18H32O3 |
|---|---|
| Molecular Weight | 296.24 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 296.23514 |
| Heavy Atoms | 21 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5455-97-0 |
|---|---|
| SMILES | CCCCCCC(=O)CC=CCCCCCCCC(=O)O |
| InChIKey | QHEOVCWNVASAFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Oxooctadec-9-enoic acid (CAS 5455-97-0), with molecular formula C18H32O3 and molecular weight 296.24 g/mol. IUPAC: 12-oxooctadec-9-enoic acid.
Chemical Property Profile of 12-Oxooctadec-9-enoic acid
Property Insights of 12-Oxooctadec-9-enoic acid
The XLogP value of 5.3 indicates that 12-Oxooctadec-9-enoic 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-Oxooctadec-9-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Oxooctadec-9-enoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Oxooctadec-9-enoic acid?
The CAS number of 12-Oxooctadec-9-enoic acid is 5455-97-0.
What is the molecular formula of 12-Oxooctadec-9-enoic acid?
The molecular formula of 12-Oxooctadec-9-enoic acid is C18H32O3.
What is the molecular weight of 12-Oxooctadec-9-enoic acid?
The molecular weight of 12-Oxooctadec-9-enoic acid is 296.24 g/mol.
Where can I buy 12-Oxooctadec-9-enoic acid?
You can request a quote for 12-Oxooctadec-9-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxooctadec-9-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxooctadec-9-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.