Pinellic acid
TL;DR: Pinellic acid (CAS 97134-11-7) is a chemical compound with molecular formula C18H34O5 and molecular weight 330.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid
Also Known As: Pinellic acid, 9,12,13-TriHOME, Dihydrofulgidic acid, (-)-Pinellic acid, 9S,12S,13S-trihydroxy-10E-octadecenoic acid
| Molecular Formula | C18H34O5 |
|---|---|
| Molecular Weight | 330.24 g/mol |
| LogP | 3.0209 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 330.24063 |
| Heavy Atoms | 23 |
| Complexity | 316.5338 |
Chemical Identifiers
| CAS Number | 97134-11-7 |
|---|---|
| SMILES | CCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCC(=O)O)O)O)O |
Product Overview
Pinellic acid (CAS 97134-11-7), with molecular formula C18H34O5 and molecular weight 330.24 g/mol. IUPAC: (E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid.
Chemical Property Profile of Pinellic acid
Property Insights of Pinellic acid
The XLogP value of 3.0209 indicates that Pinellic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinellic acid. Following Lipinski's Rule of Five, Pinellic acid has 4 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 Pinellic acid?
The CAS number of Pinellic acid is 97134-11-7.
What is the molecular formula of Pinellic acid?
The molecular formula of Pinellic acid is C18H34O5.
What is the molecular weight of Pinellic acid?
The molecular weight of Pinellic acid is 330.24 g/mol.
Where can I buy Pinellic acid?
You can request a quote for Pinellic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinellic acid?
Yes, KEHONG BIO provides custom synthesis services for Pinellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.