![(3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one structure](/static/products/862/86239-19-2.png)
(3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
TL;DR: (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one (CAS 86239-19-2) is a chemical compound with molecular formula C13H11ClOS and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
Also Known As: (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one, (3Z)-3-[(4-Chlorophenyl)methylidene]-5-ethylthiophen-2(3H)-one
| Molecular Formula | C13H11ClOS |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 4.2907 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.02191 |
| Heavy Atoms | 16 |
| Complexity | 471.21088 |
Chemical Identifiers
| CAS Number | 86239-19-2 |
|---|---|
| SMILES | CCC1=C/C(=C/C2=CC=C(C=C2)Cl)/C(=O)S1 |
Product Overview
(3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one (CAS 86239-19-2), with molecular formula C13H11ClOS and molecular weight 250.02 g/mol. IUPAC: (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one.
Chemical Property Profile of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
Property Insights of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one
The XLogP value of 4.2907 indicates that (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one 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 (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one?
The CAS number of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one is 86239-19-2.
What is the molecular formula of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one?
The molecular formula of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one is C13H11ClOS.
What is the molecular weight of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one?
The molecular weight of (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one is 250.02 g/mol.
Where can I buy (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one?
You can request a quote for (3Z)-3-[(4-chlorophenyl)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 (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-[(4-chlorophenyl)methylidene]-5-ethylthiophen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.