3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one
TL;DR: 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one (CAS 86239-20-5) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one
Also Known As: ChemDiv3_000974, 3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one, (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-o
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 86239-20-5 |
|---|---|
| SMILES | CCC1=CC(=CC2=CC3=C(C=C2)OCO3)C(=O)S1 |
| InChIKey | BUOREIVKKAYCJA-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one (CAS 86239-20-5), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one
Property Insights of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one
The XLogP value of 3.5 indicates that 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one has 0 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 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one?
The CAS number of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one is 86239-20-5.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one?
The molecular formula of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one is C14H12O3S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one?
The molecular weight of 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one is 260.05 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one?
You can request a quote for 3-(1,3-Benzodioxol-5-ylmethylidene)-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-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylmethylidene)-5-ethylthiophen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.