2-Chloro-1-(3-methyl-2-thienyl)-ethanone
TL;DR: 2-Chloro-1-(3-methyl-2-thienyl)-ethanone (CAS 556110-52-2) is a chemical compound with molecular formula C7H7ClOS and molecular weight 173.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(3-methylthiophen-2-yl)ethanone
Also Known As: 2-Chloro-1-(3-methyl-2-thienyl)-ethanone, 2-chloro-1-(3-methylthiophen-2-yl)ethanone, Chloromethyl Thienyl Ketone deriv. 11, 2-chloro-1-(3-methylthiophen-2-yl)ethan-1-one, 2-Chloro-1-(3-methyl-2-thienyl)ethanone
| Molecular Formula | C7H7ClOS |
|---|---|
| Molecular Weight | 173.99 g/mol |
| LogP | 2.47802 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.99062 |
| Heavy Atoms | 10 |
| Complexity | 241.50908 |
Chemical Identifiers
| CAS Number | 556110-52-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C(=O)CCl |
Product Overview
2-Chloro-1-(3-methyl-2-thienyl)-ethanone (CAS 556110-52-2), with molecular formula C7H7ClOS and molecular weight 173.99 g/mol. IUPAC: 2-chloro-1-(3-methylthiophen-2-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone
Property Insights of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone
The XLogP value of 2.47802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3-methyl-2-thienyl)-ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Chloro-1-(3-methyl-2-thienyl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(3-methyl-2-thienyl)-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-(3-methyl-2-thienyl)-ethanone?
The CAS number of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone is 556110-52-2.
What is the molecular formula of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone?
The molecular formula of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone is C7H7ClOS.
What is the molecular weight of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone?
The molecular weight of 2-Chloro-1-(3-methyl-2-thienyl)-ethanone is 173.99 g/mol.
Where can I buy 2-Chloro-1-(3-methyl-2-thienyl)-ethanone?
You can request a quote for 2-Chloro-1-(3-methyl-2-thienyl)-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-(3-methyl-2-thienyl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3-methyl-2-thienyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.