1-(Thiophen-2-yl)hexane-1,3-dione
TL;DR: 1-(Thiophen-2-yl)hexane-1,3-dione (CAS 40598-55-8) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylhexane-1,3-dione
Also Known As: 1-(thiophen-2-yl)hexane-1,3-dione, 1-thiophen-2-ylhexane-1,3-dione, 1,3-Hexanedione,1-(2-thienyl)-, 1-(2-Thienyl)hexane-1,3-dione, KST-1B4020
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 40598-55-8 |
|---|---|
| SMILES | CCCC(=O)CC(=O)C1=CC=CS1 |
| InChIKey | JWOYZYLUCQTEIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Thiophen-2-yl)hexane-1,3-dione (CAS 40598-55-8), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 1-thiophen-2-ylhexane-1,3-dione.
Chemical Property Profile of 1-(Thiophen-2-yl)hexane-1,3-dione
Property Insights of 1-(Thiophen-2-yl)hexane-1,3-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Thiophen-2-yl)hexane-1,3-dione. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Thiophen-2-yl)hexane-1,3-dione. Following Lipinski's Rule of Five, 1-(Thiophen-2-yl)hexane-1,3-dione has 0 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-(Thiophen-2-yl)hexane-1,3-dione?
The CAS number of 1-(Thiophen-2-yl)hexane-1,3-dione is 40598-55-8.
What is the molecular formula of 1-(Thiophen-2-yl)hexane-1,3-dione?
The molecular formula of 1-(Thiophen-2-yl)hexane-1,3-dione is C10H12O2S.
What is the molecular weight of 1-(Thiophen-2-yl)hexane-1,3-dione?
The molecular weight of 1-(Thiophen-2-yl)hexane-1,3-dione is 196.06 g/mol.
Where can I buy 1-(Thiophen-2-yl)hexane-1,3-dione?
You can request a quote for 1-(Thiophen-2-yl)hexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Thiophen-2-yl)hexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thiophen-2-yl)hexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.