![1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one structure](/static/products/1752/175203-51-7.webp)
1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one
TL;DR: 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one (CAS 175203-51-7) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone
Also Known As: Maybridge1_004957, 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one, 4-(5-Acetylthien-2-yl)-2-methylbut-3-yn-2-ol, 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone, 1-(5-(3-Hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl)ethanone
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 175203-51-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(S1)C#CC(C)(C)O |
| InChIKey | PXXNKLZPFBADFO-UHFFFAOYSA-N |
Product Overview
1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one (CAS 175203-51-7), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone.
Chemical Property Profile of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one
Property Insights of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one. Following Lipinski's Rule of Five, 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one has 1 hydrogen bond donor(s) and 3 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-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one?
The CAS number of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one is 175203-51-7.
What is the molecular formula of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one?
The molecular formula of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one is C11H12O2S.
What is the molecular weight of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one?
The molecular weight of 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one is 208.06 g/mol.
Where can I buy 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one?
You can request a quote for 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.