8,11,12-三羟基二十碳-5,9,14-三烯酸
TL;DR: 8,11,12-三羟基二十碳-5,9,14-三烯酸 (CAS 96790-36-2) is a chemical compound with molecular formula C20H34O5 and molecular weight 354.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,11,12-三羟基二十碳-5,9,14-三烯酸
8,11,12-trihydroxyicosa-5,9,14-trienoic acid
Also Known As: Trioxilin A3, 8,11,12-Teta, 8,11,12-trihydroxyicosa-5,9,14-trienoic acid, -8,11,12-trihydroxyicosa-5,9,14-trienoicacid, 8,11,12-Trihydroxy-5,9,14-eicosatrienoic acid
| Molecular Formula | C20H34O5 |
|---|---|
| Molecular Weight | 354.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 354.24063 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 96790-36-2 |
|---|---|
| SMILES | CCCCCC=CCC(C(C=CC(CC=CCCCC(=O)O)O)O)O |
| InChIKey | WPLPEZUSILBTGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8,11,12-三羟基二十碳-5,9,14-三烯酸 (CAS 96790-36-2), with molecular formula C20H34O5 and molecular weight 354.24 g/mol. IUPAC: 8,11,12-trihydroxyicosa-5,9,14-trienoic acid.
Chemical Property Profile of 8,11,12-三羟基二十碳-5,9,14-三烯酸
Property Insights of 8,11,12-三羟基二十碳-5,9,14-三烯酸
The XLogP value of 3.1 indicates that 8,11,12-三羟基二十碳-5,9,14-三烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,11,12-三羟基二十碳-5,9,14-三烯酸. Following Lipinski's Rule of Five, 8,11,12-三羟基二十碳-5,9,14-三烯酸 has 4 hydrogen bond donor(s) and 5 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 8,11,12-三羟基二十碳-5,9,14-三烯酸?
The CAS number of 8,11,12-三羟基二十碳-5,9,14-三烯酸 is 96790-36-2.
What is the molecular formula of 8,11,12-三羟基二十碳-5,9,14-三烯酸?
The molecular formula of 8,11,12-三羟基二十碳-5,9,14-三烯酸 is C20H34O5.
What is the molecular weight of 8,11,12-三羟基二十碳-5,9,14-三烯酸?
The molecular weight of 8,11,12-三羟基二十碳-5,9,14-三烯酸 is 354.24 g/mol.
Where can I buy 8,11,12-三羟基二十碳-5,9,14-三烯酸?
You can request a quote for 8,11,12-三羟基二十碳-5,9,14-三烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,11,12-三羟基二十碳-5,9,14-三烯酸?
Yes, KEHONG BIO provides custom synthesis services for 8,11,12-三羟基二十碳-5,9,14-三烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.