![3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one structure](/static/products/6046/60466-77-5.webp)
3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one
TL;DR: 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one (CAS 60466-77-5) 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.
3-[(5-chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one
Also Known As: (3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-5-ethylthioph, 3-[(5-chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one
| Molecular Formula | C13H11ClO2S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0168 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 60466-77-5 |
|---|---|
| SMILES | CCC1=CC(=CC2=C(C=CC(=C2)Cl)O)C(=O)S1 |
| InChIKey | HYXBZDLLLXKQEY-UHFFFAOYSA-N |
Product Overview
3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one (CAS 60466-77-5), with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol. IUPAC: 3-[(5-chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one.
Chemical Property Profile of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one
Property Insights of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one
The XLogP value of 4.0 indicates that 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one. Following Lipinski's Rule of Five, 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one has 1 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 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one?
The CAS number of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one is 60466-77-5.
What is the molecular formula of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one?
The molecular formula of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one is C13H11ClO2S.
What is the molecular weight of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one?
The molecular weight of 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one is 266.02 g/mol.
Where can I buy 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one?
You can request a quote for 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Chloro-2-hydroxyphenyl)methylidene]-5-ethylthiophen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.