丁酸-1-环己基-2-丙炔-1-基酯
TL;DR: 丁酸-1-环己基-2-丙炔-1-基酯 (CAS 100532-46-5) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸-1-环己基-2-丙炔-1-基酯
1-cyclohexylprop-2-ynyl butanoate
Also Known As: 1-cyclohexylprop-2-ynyl butanoate, Cyclohexanemethanol, alpha-ethynyl-, butyrate, 1-cyclohexylprop-2-yn-1-yl butanoate, BUTYRIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTER, Butyric acid 1-cyclohexyl-2-propynyl ester
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 100532-46-5 |
|---|---|
| SMILES | CCCC(=O)OC(C#C)C1CCCCC1 |
| InChIKey | GOBXATJYRZJYRP-UHFFFAOYSA-N |
Product Overview
丁酸-1-环己基-2-丙炔-1-基酯 (CAS 100532-46-5), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 1-cyclohexylprop-2-ynyl butanoate.
Chemical Property Profile of 丁酸-1-环己基-2-丙炔-1-基酯
Property Insights of 丁酸-1-环己基-2-丙炔-1-基酯
The XLogP value of 3.5 indicates that 丁酸-1-环己基-2-丙炔-1-基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸-1-环己基-2-丙炔-1-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸-1-环己基-2-丙炔-1-基酯 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 丁酸-1-环己基-2-丙炔-1-基酯?
The CAS number of 丁酸-1-环己基-2-丙炔-1-基酯 is 100532-46-5.
What is the molecular formula of 丁酸-1-环己基-2-丙炔-1-基酯?
The molecular formula of 丁酸-1-环己基-2-丙炔-1-基酯 is C13H20O2.
What is the molecular weight of 丁酸-1-环己基-2-丙炔-1-基酯?
The molecular weight of 丁酸-1-环己基-2-丙炔-1-基酯 is 208.15 g/mol.
Where can I buy 丁酸-1-环己基-2-丙炔-1-基酯?
You can request a quote for 丁酸-1-环己基-2-丙炔-1-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸-1-环己基-2-丙炔-1-基酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸-1-环己基-2-丙炔-1-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.