9Z,12Z-Octadecadien-6-ynoic acid
TL;DR: 9Z,12Z-Octadecadien-6-ynoic acid (CAS 56795-52-9) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9Z,12Z)-octadeca-9,12-dien-6-ynoic acid
Also Known As: Acetylenic acids, 9Z,12Z-Octadecadien-6-ynoic acid, (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid, Octadeca-cis-9,12-dien-6-insaeure, all-cis-9,12-octadecadien-6-ynoic acid
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 5.1077 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 342.16507 |
Chemical Identifiers
| CAS Number | 56795-52-9 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CC#CCCCCC(=O)O |
Product Overview
9Z,12Z-Octadecadien-6-ynoic acid (CAS 56795-52-9), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: (9Z,12Z)-octadeca-9,12-dien-6-ynoic acid.
Chemical Property Profile of 9Z,12Z-Octadecadien-6-ynoic acid
Property Insights of 9Z,12Z-Octadecadien-6-ynoic acid
The XLogP value of 5.1077 indicates that 9Z,12Z-Octadecadien-6-ynoic 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, 9Z,12Z-Octadecadien-6-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9Z,12Z-Octadecadien-6-ynoic acid has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9Z,12Z-Octadecadien-6-ynoic acid?
The CAS number of 9Z,12Z-Octadecadien-6-ynoic acid is 56795-52-9.
What is the molecular formula of 9Z,12Z-Octadecadien-6-ynoic acid?
The molecular formula of 9Z,12Z-Octadecadien-6-ynoic acid is C18H28O2.
What is the molecular weight of 9Z,12Z-Octadecadien-6-ynoic acid?
The molecular weight of 9Z,12Z-Octadecadien-6-ynoic acid is 276.21 g/mol.
Where can I buy 9Z,12Z-Octadecadien-6-ynoic acid?
You can request a quote for 9Z,12Z-Octadecadien-6-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9Z,12Z-Octadecadien-6-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9Z,12Z-Octadecadien-6-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.