2-Chloro-1-(5-ethylthien-2-yl)ethanone
TL;DR: 2-Chloro-1-(5-ethylthien-2-yl)ethanone (CAS 72612-03-4) is a chemical compound with molecular formula C8H9ClOS and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(5-ethylthiophen-2-yl)ethanone
Also Known As: 2-chloro-1-(5-ethylthiophen-2-yl)ethanone, 2-chloro-1-(5-ethylthien-2-yl)ethanone, Ethanone,2-chloro-1- -, 2-chloro-1-(5-ethylthiophen-2-yl)ethan-1-one, Ethanone,2-chloro-1-(5-ethyl-2-thienyl)-
| Molecular Formula | C8H9ClOS |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.732 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.00627 |
| Heavy Atoms | 11 |
| Complexity | 254.34967 |
Chemical Identifiers
| CAS Number | 72612-03-4 |
|---|---|
| SMILES | CCC1=CC=C(S1)C(=O)CCl |
Product Overview
2-Chloro-1-(5-ethylthien-2-yl)ethanone (CAS 72612-03-4), with molecular formula C8H9ClOS and molecular weight 188.01 g/mol. IUPAC: 2-chloro-1-(5-ethylthiophen-2-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(5-ethylthien-2-yl)ethanone
Property Insights of 2-Chloro-1-(5-ethylthien-2-yl)ethanone
The XLogP value of 2.732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(5-ethylthien-2-yl)ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Chloro-1-(5-ethylthien-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(5-ethylthien-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
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(5-ethylthien-2-yl)ethanone?
The CAS number of 2-Chloro-1-(5-ethylthien-2-yl)ethanone is 72612-03-4.
What is the molecular formula of 2-Chloro-1-(5-ethylthien-2-yl)ethanone?
The molecular formula of 2-Chloro-1-(5-ethylthien-2-yl)ethanone is C8H9ClOS.
What is the molecular weight of 2-Chloro-1-(5-ethylthien-2-yl)ethanone?
The molecular weight of 2-Chloro-1-(5-ethylthien-2-yl)ethanone is 188.01 g/mol.
Where can I buy 2-Chloro-1-(5-ethylthien-2-yl)ethanone?
You can request a quote for 2-Chloro-1-(5-ethylthien-2-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-(5-ethylthien-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(5-ethylthien-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.