4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one
TL;DR: 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one (CAS 26494-10-0) is a chemical compound with molecular formula C6H8O2S and molecular weight 144.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2,5-dimethylthiophen-3-one
Also Known As: 4-Hydroxy-2,5-dimethylthiophen-3(2H)-one, EINECS 247-742-3, 3(2H)-Thiophenone, 4-hydroxy-2,5-dimethyl-, 4-hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one, 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophenone-3
| Molecular Formula | C6H8O2S |
|---|---|
| Molecular Weight | 144.02 g/mol |
| LogP | 1.4803 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.0245 |
| Heavy Atoms | 9 |
| Complexity | 183.49689 |
Chemical Identifiers
| CAS Number | 26494-10-0 |
|---|---|
| SMILES | CC1C(=O)C(=C(S1)C)O |
Product Overview
4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one (CAS 26494-10-0), with molecular formula C6H8O2S and molecular weight 144.02 g/mol. IUPAC: 4-hydroxy-2,5-dimethylthiophen-3-one.
Chemical Property Profile of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one
Property Insights of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one
The XLogP value of 1.4803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-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 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one?
The CAS number of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one is 26494-10-0.
What is the molecular formula of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one?
The molecular formula of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one is C6H8O2S.
What is the molecular weight of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one?
The molecular weight of 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one is 144.02 g/mol.
Where can I buy 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one?
You can request a quote for 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.