5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
TL;DR: 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one (CAS 331868-48-5) is a chemical compound with molecular formula C17H14O2S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
Also Known As: 5-(3,4-dimethylphenyl)-3-(2-thienylmethylene)-2(3H)-furanone, 5-(3,4-dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
| Molecular Formula | C17H14O2S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07144 |
| Heavy Atoms | 20 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 331868-48-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC(=CC3=CC=CS3)C(=O)O2)C |
| InChIKey | SVSDURHIEJHBED-UHFFFAOYSA-N |
Product Overview
5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one (CAS 331868-48-5), with molecular formula C17H14O2S and molecular weight 282.07 g/mol. IUPAC: 5-(3,4-dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one.
Chemical Property Profile of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
Property Insights of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
The XLogP value of 4.4 indicates that 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-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 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The CAS number of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is 331868-48-5.
What is the molecular formula of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The molecular formula of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is C17H14O2S.
What is the molecular weight of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The molecular weight of 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is 282.07 g/mol.
Where can I buy 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
You can request a quote for 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.