Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-
TL;DR: Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- (CAS 61886-43-9) is a chemical compound with molecular formula C8H4Cl2OS and molecular weight 217.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dichloro-1-benzothiophen-3-one
Also Known As: Benzo[b]thiophen-3(2H)-one, 4,7-dichloro-, 4,7-dichloro-1-benzothiophen-3-one, 4,7-dichloro-1-benzothiophen-3(2h)-one, 4,7-dichlorobenzo[b]thiophene-3(2h)-one, 4,7-Dichlorobenzo[b]thiophen-3(2H)-one
| Molecular Formula | C8H4Cl2OS |
|---|---|
| Molecular Weight | 217.94 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.93599 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 61886-43-9 |
|---|---|
| SMILES | C1C(=O)C2=C(C=CC(=C2S1)Cl)Cl |
| InChIKey | RXBGQMAHSXLVLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- (CAS 61886-43-9), with molecular formula C8H4Cl2OS and molecular weight 217.94 g/mol. IUPAC: 4,7-dichloro-1-benzothiophen-3-one.
Chemical Property Profile of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-
Property Insights of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-
The XLogP value of 3.3 indicates that Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- 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 Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-?
The CAS number of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- is 61886-43-9.
What is the molecular formula of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-?
The molecular formula of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- is C8H4Cl2OS.
What is the molecular weight of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-?
The molecular weight of Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- is 217.94 g/mol.
Where can I buy Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-?
You can request a quote for Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophen-3(2H)-one, 4,7-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophen-3(2H)-one, 4,7-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.