4,5,6,7-Tetrahydro-4-oxothionaphthene
TL;DR: 4,5,6,7-Tetrahydro-4-oxothionaphthene (CAS 13414-95-4) is a chemical compound with molecular formula C8H8OS and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydro-5H-1-benzothiophen-4-one
Also Known As: 6,7-Dihydro-4-benzo[b]thiophenone, 6,7-dihydro-5H-benzo[b]thiophen-4-one, 6,7-Dihydrobenzo[b]thiophen-4(5H)-one, 4-Keto-4,5,6,7-tetrahydrothianaphthene, Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 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 | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 13414-95-4 |
|---|---|
| SMILES | C1CC2=C(C=CS2)C(=O)C1 |
| InChIKey | GJEKNELSXNSYAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-Tetrahydro-4-oxothionaphthene (CAS 13414-95-4), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: 6,7-dihydro-5H-1-benzothiophen-4-one.
Chemical Property Profile of 4,5,6,7-Tetrahydro-4-oxothionaphthene
Property Insights of 4,5,6,7-Tetrahydro-4-oxothionaphthene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-4-oxothionaphthene. With a topological polar surface area (TPSA) of 45.3 Ų, 4,5,6,7-Tetrahydro-4-oxothionaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-4-oxothionaphthene 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 4,5,6,7-Tetrahydro-4-oxothionaphthene?
The CAS number of 4,5,6,7-Tetrahydro-4-oxothionaphthene is 13414-95-4.
What is the molecular formula of 4,5,6,7-Tetrahydro-4-oxothionaphthene?
The molecular formula of 4,5,6,7-Tetrahydro-4-oxothionaphthene is C8H8OS.
What is the molecular weight of 4,5,6,7-Tetrahydro-4-oxothionaphthene?
The molecular weight of 4,5,6,7-Tetrahydro-4-oxothionaphthene is 152.03 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-4-oxothionaphthene?
You can request a quote for 4,5,6,7-Tetrahydro-4-oxothionaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-4-oxothionaphthene?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-4-oxothionaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.