12,13-DiHOME(9)
TL;DR: 12,13-DiHOME(9) (CAS 53734-71-7) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-12,13-dihydroxyoctadec-9-enoic acid
Also Known As: Isoleukotoxindiol, 12,13-dihydroxy-9-octadecenoic acid, 12,13-DiHOME(9), (?9,10-DiHOME, ()12(13)-DiHOME
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 4.0501 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 288.81174 |
Chemical Identifiers
| CAS Number | 53734-71-7 |
|---|---|
| SMILES | CCCCCC(C(C/C=C/CCCCCCCC(=O)O)O)O |
Product Overview
12,13-DiHOME(9) (CAS 53734-71-7), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: (E)-12,13-dihydroxyoctadec-9-enoic acid.
Chemical Property Profile of 12,13-DiHOME(9)
Property Insights of 12,13-DiHOME(9)
The XLogP value of 4.0501 indicates that 12,13-DiHOME(9) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-DiHOME(9). Following Lipinski's Rule of Five, 12,13-DiHOME(9) has 3 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-DiHOME(9)?
The CAS number of 12,13-DiHOME(9) is 53734-71-7.
What is the molecular formula of 12,13-DiHOME(9)?
The molecular formula of 12,13-DiHOME(9) is C18H34O4.
What is the molecular weight of 12,13-DiHOME(9)?
The molecular weight of 12,13-DiHOME(9) is 314.25 g/mol.
Where can I buy 12,13-DiHOME(9)?
You can request a quote for 12,13-DiHOME(9) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-DiHOME(9)?
Yes, KEHONG BIO provides custom synthesis services for 12,13-DiHOME(9) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.