4H,5H,6H-cyclopenta(b)thiophen-6-one
TL;DR: 4H,5H,6H-cyclopenta(b)thiophen-6-one (CAS 5650-52-2) is a chemical compound with molecular formula C7H6OS and molecular weight 138.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydrocyclopenta[b]thiophen-6-one
Also Known As: 4H-Cyclopenta[b]thiophen-6(5H)-one, 4,5-dihydrocyclopenta[b]thiophen-6-one, 4H,5H,6H-cyclopenta[b]thiophen-6-one, 4,5-dihydro-6H-cyclopenta[b]thiophen-6-one, 2-(Allyloxy)-4-nitrobenzyl Bromide
| Molecular Formula | C7H6OS |
|---|---|
| Molecular Weight | 138.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.01393 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5650-52-2 |
|---|---|
| SMILES | C1CC(=O)C2=C1C=CS2 |
| InChIKey | QHZITEHQKWPDJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H,5H,6H-cyclopenta(b)thiophen-6-one (CAS 5650-52-2), with molecular formula C7H6OS and molecular weight 138.01 g/mol. IUPAC: 4,5-dihydrocyclopenta[b]thiophen-6-one.
Chemical Property Profile of 4H,5H,6H-cyclopenta(b)thiophen-6-one
Property Insights of 4H,5H,6H-cyclopenta(b)thiophen-6-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,5H,6H-cyclopenta(b)thiophen-6-one. With a topological polar surface area (TPSA) of 45.3 Ų, 4H,5H,6H-cyclopenta(b)thiophen-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,5H,6H-cyclopenta(b)thiophen-6-one has 0 hydrogen bond donor(s) and 2 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 4H,5H,6H-cyclopenta(b)thiophen-6-one?
The CAS number of 4H,5H,6H-cyclopenta(b)thiophen-6-one is 5650-52-2.
What is the molecular formula of 4H,5H,6H-cyclopenta(b)thiophen-6-one?
The molecular formula of 4H,5H,6H-cyclopenta(b)thiophen-6-one is C7H6OS.
What is the molecular weight of 4H,5H,6H-cyclopenta(b)thiophen-6-one?
The molecular weight of 4H,5H,6H-cyclopenta(b)thiophen-6-one is 138.01 g/mol.
Where can I buy 4H,5H,6H-cyclopenta(b)thiophen-6-one?
You can request a quote for 4H,5H,6H-cyclopenta(b)thiophen-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,5H,6H-cyclopenta(b)thiophen-6-one?
Yes, KEHONG BIO provides custom synthesis services for 4H,5H,6H-cyclopenta(b)thiophen-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.