3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
TL;DR: 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid (CAS 81485-25-8) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
Also Known As: Peretinoin, NIK333, NIK333;NIK-333;NIK 333, 3,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid, 3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 81485-25-8 |
|---|---|
| SMILES | CC(=CCCC(=CCCC(=CC=CC(=CC(=O)O)C)C)C)C |
| InChIKey | UUBHZHZSIKRVIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid (CAS 81485-25-8), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: 3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid.
Chemical Property Profile of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
Property Insights of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
The XLogP value of 6.9 indicates that 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid?
The CAS number of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid is 81485-25-8.
What is the molecular formula of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid?
The molecular formula of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid is C20H30O2.
What is the molecular weight of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid?
The molecular weight of 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid is 302.22 g/mol.
Where can I buy 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid?
You can request a quote for 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7,11,15-Tetramethylhexadeca-2,4,6,10,14-pentaenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.