(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
TL;DR: (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CAS 111004-08-1) 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.
(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Also Known As: HPOTA, 9(S)-HpOTrE, 10,12,15-Octadecatrienoic acid 9-hydroperoxy, 9-Hydroperoxy-10,12,15-octadecatrienoic acid, (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
| Molecular Formula | C18H30O4 |
|---|---|
| Molecular Weight | 310.21 g/mol |
| LogP | 5.1286 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 310.21442 |
| Heavy Atoms | 22 |
| Complexity | 344.9963 |
Chemical Identifiers
| CAS Number | 111004-08-1 |
|---|---|
| SMILES | CCC=CCC=CC=C[C@H](CCCCCCCC(=O)O)OO |
Product Overview
(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CAS 111004-08-1), with molecular formula C18H30O4 and molecular weight 310.21 g/mol. IUPAC: (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.
Chemical Property Profile of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Property Insights of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
The XLogP value of 5.1286 indicates that (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid. Following Lipinski's Rule of Five, (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid has 2 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 (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid?
The CAS number of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid is 111004-08-1.
What is the molecular formula of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid?
The molecular formula of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid is C18H30O4.
What is the molecular weight of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid?
The molecular weight of (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid is 310.21 g/mol.
Where can I buy (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid?
You can request a quote for (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid?
Yes, KEHONG BIO provides custom synthesis services for (9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.