12,13-Epoxy-11-oxo-9-octadecenoic acid
TL;DR: 12,13-Epoxy-11-oxo-9-octadecenoic acid (CAS 79741-28-9) is a chemical compound with molecular formula C18H30O4 and molecular weight 310.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-11-oxo-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
Also Known As: Epooda, 12,13-Epoxy-11-oxo-9-octadecenoic acid, J2.549.952B, trans-12,13-Epoxy-11-oxo-trans-9-octadecenoic acid, (E)-11-oxo-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
| Molecular Formula | C18H30O4 |
|---|---|
| Molecular Weight | 310.21 g/mol |
| LogP | 4.2747 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 310.21442 |
| Heavy Atoms | 22 |
| Complexity | 362.09866 |
Chemical Identifiers
| CAS Number | 79741-28-9 |
|---|---|
| SMILES | CCCCC[C@@H]1[C@H](O1)C(=O)/C=C/CCCCCCCC(=O)O |
Product Overview
12,13-Epoxy-11-oxo-9-octadecenoic acid (CAS 79741-28-9), with molecular formula C18H30O4 and molecular weight 310.21 g/mol. IUPAC: (E)-11-oxo-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid.
Chemical Property Profile of 12,13-Epoxy-11-oxo-9-octadecenoic acid
Property Insights of 12,13-Epoxy-11-oxo-9-octadecenoic acid
The XLogP value of 4.2747 indicates that 12,13-Epoxy-11-oxo-9-octadecenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-Epoxy-11-oxo-9-octadecenoic acid. Following Lipinski's Rule of Five, 12,13-Epoxy-11-oxo-9-octadecenoic 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 12,13-Epoxy-11-oxo-9-octadecenoic acid?
The CAS number of 12,13-Epoxy-11-oxo-9-octadecenoic acid is 79741-28-9.
What is the molecular formula of 12,13-Epoxy-11-oxo-9-octadecenoic acid?
The molecular formula of 12,13-Epoxy-11-oxo-9-octadecenoic acid is C18H30O4.
What is the molecular weight of 12,13-Epoxy-11-oxo-9-octadecenoic acid?
The molecular weight of 12,13-Epoxy-11-oxo-9-octadecenoic acid is 310.21 g/mol.
Where can I buy 12,13-Epoxy-11-oxo-9-octadecenoic acid?
You can request a quote for 12,13-Epoxy-11-oxo-9-octadecenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Epoxy-11-oxo-9-octadecenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Epoxy-11-oxo-9-octadecenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.