1-(4-Hydroxy-3-thienyl)ethanone
TL;DR: 1-(4-Hydroxy-3-thienyl)ethanone (CAS 5556-16-1) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxythiophen-3-yl)ethanone
Also Known As: 1- ETHANONE, 3-hydroxy-4-acetylthiophene, 1-(4-HYDROXY-3-THIENYL)ETHANONE, 3-Acetyl-4-hydroxy-thiophen, Ethanone, 1-(4-hydroxy-3-thienyl)-
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 5556-16-1 |
|---|---|
| SMILES | CC(=O)C1=CSC=C1O |
| InChIKey | AJDBMHRSQPGEOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Hydroxy-3-thienyl)ethanone (CAS 5556-16-1), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: 1-(4-hydroxythiophen-3-yl)ethanone.
Chemical Property Profile of 1-(4-Hydroxy-3-thienyl)ethanone
Property Insights of 1-(4-Hydroxy-3-thienyl)ethanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Hydroxy-3-thienyl)ethanone. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxy-3-thienyl)ethanone. Following Lipinski's Rule of Five, 1-(4-Hydroxy-3-thienyl)ethanone 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-(4-Hydroxy-3-thienyl)ethanone?
The CAS number of 1-(4-Hydroxy-3-thienyl)ethanone is 5556-16-1.
What is the molecular formula of 1-(4-Hydroxy-3-thienyl)ethanone?
The molecular formula of 1-(4-Hydroxy-3-thienyl)ethanone is C6H6O2S.
What is the molecular weight of 1-(4-Hydroxy-3-thienyl)ethanone?
The molecular weight of 1-(4-Hydroxy-3-thienyl)ethanone is 142.01 g/mol.
Where can I buy 1-(4-Hydroxy-3-thienyl)ethanone?
You can request a quote for 1-(4-Hydroxy-3-thienyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxy-3-thienyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-3-thienyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.