Prop-2-ynyl dodecanoate
TL;DR: Prop-2-ynyl dodecanoate (CAS 6972-80-1) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl dodecanoate
Also Known As: prop-2-ynyl dodecanoate, propargyl laurate, prop-2-yn-1-yl dodecanoate, Lauric acid 2-propynyl ester, RefChem:373899
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 6972-80-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC#C |
| InChIKey | FLHVVDLUJHPLPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-ynyl dodecanoate (CAS 6972-80-1), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: prop-2-ynyl dodecanoate.
Chemical Property Profile of Prop-2-ynyl dodecanoate
Property Insights of Prop-2-ynyl dodecanoate
The XLogP value of 5.4 indicates that Prop-2-ynyl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Prop-2-ynyl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl dodecanoate has 0 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 Prop-2-ynyl dodecanoate?
The CAS number of Prop-2-ynyl dodecanoate is 6972-80-1.
What is the molecular formula of Prop-2-ynyl dodecanoate?
The molecular formula of Prop-2-ynyl dodecanoate is C15H26O2.
What is the molecular weight of Prop-2-ynyl dodecanoate?
The molecular weight of Prop-2-ynyl dodecanoate is 238.19 g/mol.
Where can I buy Prop-2-ynyl dodecanoate?
You can request a quote for Prop-2-ynyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.