1-Dodecyn-3-ol, 3-methyl-, 3-acetate
TL;DR: 1-Dodecyn-3-ol, 3-methyl-, 3-acetate (CAS 72152-85-3) 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.
[(3R)-3-methyldodec-1-yn-3-yl] acetate
Also Known As: 1-Methyl-1-ethynyldecanyl acetate, 1-Dodecyn-3-ol, 3-methyl-, acetate, 1-Dodecyn-3-ol, 3-methyl-, 3-acetate, [(3R)-3-methyldodec-1-yn-3-yl] acetate, RefChem:432159
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.0821 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 252.13766 |
Chemical Identifiers
| CAS Number | 72152-85-3 |
|---|---|
| SMILES | CCCCCCCCC[C@](C)(C#C)OC(=O)C |
Product Overview
1-Dodecyn-3-ol, 3-methyl-, 3-acetate (CAS 72152-85-3), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: [(3R)-3-methyldodec-1-yn-3-yl] acetate.
Chemical Property Profile of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate
Property Insights of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate
The XLogP value of 4.0821 indicates that 1-Dodecyn-3-ol, 3-methyl-, 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Dodecyn-3-ol, 3-methyl-, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dodecyn-3-ol, 3-methyl-, 3-acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate?
The CAS number of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate is 72152-85-3.
What is the molecular formula of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate?
The molecular formula of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate is C15H26O2.
What is the molecular weight of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate?
The molecular weight of 1-Dodecyn-3-ol, 3-methyl-, 3-acetate is 238.19 g/mol.
Where can I buy 1-Dodecyn-3-ol, 3-methyl-, 3-acetate?
You can request a quote for 1-Dodecyn-3-ol, 3-methyl-, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dodecyn-3-ol, 3-methyl-, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecyn-3-ol, 3-methyl-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.