(9S,12R,13S)-Pinellic acid
TL;DR: (9S,12R,13S)-Pinellic acid (CAS 102735-58-0) 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,12R,13S)-9,12,13-trihydroxyoctadec-10-enoic acid
Also Known As: (9S,12R,13S)-Pinellic acid, 15,16-Dihydromalyngic acid, MEGxp0_001989, ACon1_001727, 9S,12R,13S-10E-TriHOME
| 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 | 102735-58-0 |
|---|---|
| SMILES | CCCCC[C@@H]([C@@H](/C=C/[C@H](CCCCCCCC(=O)O)O)O)O |
Product Overview
(9S,12R,13S)-Pinellic acid (CAS 102735-58-0), with molecular formula C18H34O5 and molecular weight 330.24 g/mol. IUPAC: (E,9S,12R,13S)-9,12,13-trihydroxyoctadec-10-enoic acid.
Chemical Property Profile of (9S,12R,13S)-Pinellic acid
Property Insights of (9S,12R,13S)-Pinellic acid
The XLogP value of 3.0209 indicates that (9S,12R,13S)-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 (9S,12R,13S)-Pinellic acid. Following Lipinski's Rule of Five, (9S,12R,13S)-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 (9S,12R,13S)-Pinellic acid?
The CAS number of (9S,12R,13S)-Pinellic acid is 102735-58-0.
What is the molecular formula of (9S,12R,13S)-Pinellic acid?
The molecular formula of (9S,12R,13S)-Pinellic acid is C18H34O5.
What is the molecular weight of (9S,12R,13S)-Pinellic acid?
The molecular weight of (9S,12R,13S)-Pinellic acid is 330.24 g/mol.
Where can I buy (9S,12R,13S)-Pinellic acid?
You can request a quote for (9S,12R,13S)-Pinellic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9S,12R,13S)-Pinellic acid?
Yes, KEHONG BIO provides custom synthesis services for (9S,12R,13S)-Pinellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.