1-(Thiophen-2-yl)octane-1,3-dione
TL;DR: 1-(Thiophen-2-yl)octane-1,3-dione (CAS 214219-63-3) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-yloctane-1,3-dione
Also Known As: 1-(thiophen-2-yl)octane-1,3-dione, 1-thiophen-2-yl-octane-1,3-dione, 1-thiophen-2-yloctane-1,3-dione
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 214219-63-3 |
|---|---|
| SMILES | CCCCCC(=O)CC(=O)C1=CC=CS1 |
| InChIKey | VGBCWXOZNPPLDN-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)octane-1,3-dione (CAS 214219-63-3), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 1-thiophen-2-yloctane-1,3-dione.
Chemical Property Profile of 1-(Thiophen-2-yl)octane-1,3-dione
Property Insights of 1-(Thiophen-2-yl)octane-1,3-dione
The XLogP value of 3.4 indicates that 1-(Thiophen-2-yl)octane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Thiophen-2-yl)octane-1,3-dione. Following Lipinski's Rule of Five, 1-(Thiophen-2-yl)octane-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)octane-1,3-dione?
The CAS number of 1-(Thiophen-2-yl)octane-1,3-dione is 214219-63-3.
What is the molecular formula of 1-(Thiophen-2-yl)octane-1,3-dione?
The molecular formula of 1-(Thiophen-2-yl)octane-1,3-dione is C12H16O2S.
What is the molecular weight of 1-(Thiophen-2-yl)octane-1,3-dione?
The molecular weight of 1-(Thiophen-2-yl)octane-1,3-dione is 224.09 g/mol.
Where can I buy 1-(Thiophen-2-yl)octane-1,3-dione?
You can request a quote for 1-(Thiophen-2-yl)octane-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)octane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thiophen-2-yl)octane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.