2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
TL;DR: 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone (CAS 401590-89-4) is a chemical compound with molecular formula C14H11ClO3S and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone, 2-[(4-chlorophenyl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one, 2-[(4-chlorophenyl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone, 1-(3,4-dihydroxyphenyl)-2-(4-chlorophenylthio)ethan-1-one
| Molecular Formula | C14H11ClO3S |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 3.7262 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.01175 |
| Heavy Atoms | 19 |
| Complexity | 596.14014 |
Chemical Identifiers
| CAS Number | 401590-89-4 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC(=O)C2=CC(=C(C=C2)O)O)Cl |
Product Overview
2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone (CAS 401590-89-4), with molecular formula C14H11ClO3S and molecular weight 294.01 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
Property Insights of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
The XLogP value of 3.7262 indicates that 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone has 2 hydrogen bond donor(s) and 4 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-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
The CAS number of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone is 401590-89-4.
What is the molecular formula of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
The molecular formula of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone is C14H11ClO3S.
What is the molecular weight of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
The molecular weight of 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone is 294.01 g/mol.
Where can I buy 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
You can request a quote for 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.