2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone
TL;DR: 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone (CAS 13668-93-4) is a chemical compound with molecular formula C6H3Cl3OS and molecular weight 227.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanone
Also Known As: 2-chloro-1-(2,5-dichlorothien-3-yl)ethanone, 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanone, 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethan-1-one, Ethanone, 2-chloro-1-(2,5-dichloro-3-thienyl)-, Chloromethyl Thienyl Ketone deriv. 18
| Molecular Formula | C6H3Cl3OS |
|---|---|
| Molecular Weight | 227.90 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.89702 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 13668-93-4 |
|---|---|
| SMILES | C1=C(SC(=C1C(=O)CCl)Cl)Cl |
| InChIKey | JZKWVEHRDTWYBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone (CAS 13668-93-4), with molecular formula C6H3Cl3OS and molecular weight 227.90 g/mol. IUPAC: 2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone
Property Insights of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone
The XLogP value of 3.8 indicates that 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone 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 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone?
The CAS number of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone is 13668-93-4.
What is the molecular formula of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone?
The molecular formula of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone is C6H3Cl3OS.
What is the molecular weight of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone?
The molecular weight of 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone is 227.90 g/mol.
Where can I buy 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone?
You can request a quote for 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,5-dichlorothien-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.