2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
TL;DR: 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone (CAS 156801-47-7) is a chemical compound with molecular formula C11H8Cl2OS and molecular weight 257.9673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
Also Known As: 2-chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone, 2-chloro-1-(5-chloro-3-methylbenzo[b]thiophen-2-yl)ethan-1-one, 4926AD, 2-chloroacetyl-5-chloro-3-methylbenzo[B]thiophene, 3-O-TOLYL-PROPIONICACIDETHYLESTER
Technical Specifications
| Molecular Formula | C11H8Cl2OS |
| Molecular Weight | 257.9673 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.9673 Da |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
| SMILES | CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CCl |
| InChIKey | MSOJRYIWMSFMDD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
Property Insights of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
The XLogP value of 4.6 indicates that 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-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-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-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
What is the CAS number of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
The CAS number of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone is 156801-47-7.
What is the molecular formula of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
The molecular formula of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone is C11H8Cl2OS.
What is the molecular weight of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
The molecular weight of 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone is 257.9673 g/mol.
Where can I buy 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
You can request a quote for 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.