Octadec-9-en-12-ynoic acid
TL;DR: Octadec-9-en-12-ynoic acid (CAS 2277-31-8) is a chemical compound with molecular formula C18H30O2 and molecular weight 278.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadec-9-en-12-ynoic acid
Also Known As: Crepenynic acid, Octadec-9-en-12-ynoic acid, octadec 9-en-12-ynoic acid, 9-Octadecen-12-ynoicacid, 9-Octadecen-12-ynoic acid
| Molecular Formula | C18H30O2 |
|---|---|
| Molecular Weight | 278.22 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 278.22458 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 2277-31-8 |
|---|---|
| SMILES | CCCCCC#CCC=CCCCCCCCC(=O)O |
| InChIKey | SAOSKFBYQJLQOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadec-9-en-12-ynoic acid (CAS 2277-31-8), with molecular formula C18H30O2 and molecular weight 278.22 g/mol. IUPAC: octadec-9-en-12-ynoic acid.
Chemical Property Profile of Octadec-9-en-12-ynoic acid
Property Insights of Octadec-9-en-12-ynoic acid
The XLogP value of 6.3 indicates that Octadec-9-en-12-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, Octadec-9-en-12-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-en-12-ynoic 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 Octadec-9-en-12-ynoic acid?
The CAS number of Octadec-9-en-12-ynoic acid is 2277-31-8.
What is the molecular formula of Octadec-9-en-12-ynoic acid?
The molecular formula of Octadec-9-en-12-ynoic acid is C18H30O2.
What is the molecular weight of Octadec-9-en-12-ynoic acid?
The molecular weight of Octadec-9-en-12-ynoic acid is 278.22 g/mol.
Where can I buy Octadec-9-en-12-ynoic acid?
You can request a quote for Octadec-9-en-12-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadec-9-en-12-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for Octadec-9-en-12-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.