1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one
TL;DR: 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one (CAS 438481-91-5) is a chemical compound with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
Also Known As: 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one, 1-(2-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
| Molecular Formula | C13H11ClO2S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 4.0491 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0168 |
| Heavy Atoms | 17 |
| Complexity | 493.8804 |
Chemical Identifiers
| CAS Number | 438481-91-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CSCC2=CC=CO2)Cl |
Product Overview
1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one (CAS 438481-91-5), with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol. IUPAC: 1-(2-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.
Chemical Property Profile of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one
Property Insights of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one
The XLogP value of 4.0491 indicates that 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one has 0 hydrogen bond donor(s) and 3 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 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one?
The CAS number of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one is 438481-91-5.
What is the molecular formula of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one?
The molecular formula of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one is C13H11ClO2S.
What is the molecular weight of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one?
The molecular weight of 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one is 266.02 g/mol.
Where can I buy 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one?
You can request a quote for 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-2-((furan-2-ylmethyl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.