Octadecanoic acid prop-2-ynyl ester
TL;DR: Octadecanoic acid prop-2-ynyl ester (CAS 38003-60-0) is a chemical compound with molecular formula C21H38O2 and molecular weight 322.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl octadecanoate
Also Known As: Prop-2-ynyl Octadecanoate, OCTADECANOIC ACID PROP-2-YNYL ESTER
| Molecular Formula | C21H38O2 |
|---|---|
| Molecular Weight | 322.29 g/mol |
| LogP | 6.4243 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 322.28717 |
| Heavy Atoms | 23 |
| Complexity | 290.7069 |
Chemical Identifiers
| CAS Number | 38003-60-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC#C |
Product Overview
Octadecanoic acid prop-2-ynyl ester (CAS 38003-60-0), with molecular formula C21H38O2 and molecular weight 322.29 g/mol. IUPAC: prop-2-ynyl octadecanoate.
Chemical Property Profile of Octadecanoic acid prop-2-ynyl ester
Property Insights of Octadecanoic acid prop-2-ynyl ester
The XLogP value of 6.4243 indicates that Octadecanoic acid prop-2-ynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecanoic acid prop-2-ynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic acid prop-2-ynyl ester 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 Octadecanoic acid prop-2-ynyl ester?
The CAS number of Octadecanoic acid prop-2-ynyl ester is 38003-60-0.
What is the molecular formula of Octadecanoic acid prop-2-ynyl ester?
The molecular formula of Octadecanoic acid prop-2-ynyl ester is C21H38O2.
What is the molecular weight of Octadecanoic acid prop-2-ynyl ester?
The molecular weight of Octadecanoic acid prop-2-ynyl ester is 322.29 g/mol.
Where can I buy Octadecanoic acid prop-2-ynyl ester?
You can request a quote for Octadecanoic acid prop-2-ynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid prop-2-ynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid prop-2-ynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.