5-Butyl-1-benzothiophene-4,7-dione
TL;DR: 5-Butyl-1-benzothiophene-4,7-dione (CAS 123332-47-8) is a chemical compound with molecular formula C12H12O2S and molecular weight 220.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-1-benzothiophene-4,7-dione
Also Known As: 5-Butyl-1-benzothiophene-4,7-dione, 5-butylbenzothiophene-4,7-dione, 1-Benzothiophene-4,7-dione, 5-butyl-, 5-butyl-4,7-dihydro-1-benzothiophene-4,7-dione, 5-Butyl-4,7-dihydrobenzo[b]thiophene-4,7-dione
Technical Specifications
| Molecular Formula | C12H12O2S |
| Molecular Weight | 220.0558 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0558 Da |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
| SMILES | CCCCC1=CC(=O)C2=C(C1=O)C=CS2 |
| InChIKey | HSQZSTXONVUPTH-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butyl-1-benzothiophene-4,7-dione
Property Insights of 5-Butyl-1-benzothiophene-4,7-dione
The XLogP value of 3.4 indicates that 5-Butyl-1-benzothiophene-4,7-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 5-Butyl-1-benzothiophene-4,7-dione. Following Lipinski's Rule of Five, 5-Butyl-1-benzothiophene-4,7-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
What is the CAS number of 5-Butyl-1-benzothiophene-4,7-dione?
The CAS number of 5-Butyl-1-benzothiophene-4,7-dione is 123332-47-8.
What is the molecular formula of 5-Butyl-1-benzothiophene-4,7-dione?
The molecular formula of 5-Butyl-1-benzothiophene-4,7-dione is C12H12O2S.
What is the molecular weight of 5-Butyl-1-benzothiophene-4,7-dione?
The molecular weight of 5-Butyl-1-benzothiophene-4,7-dione is 220.0558 g/mol.
Where can I buy 5-Butyl-1-benzothiophene-4,7-dione?
You can request a quote for 5-Butyl-1-benzothiophene-4,7-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Butyl-1-benzothiophene-4,7-dione?
Yes, CoreyChem provides custom synthesis services for 5-Butyl-1-benzothiophene-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.