(3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
TL;DR: (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one (CAS 100046-82-0) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
Also Known As: (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one, (E)-5-(4-methylphenyl)-3-(2-thienylmethylene)-2(3H)-furanone, (Z)-5-(4-methylphenyl)-3-(2-thienylmethylene)-2(3H)-furanone, 3-[1-Thiophen-2-yl-meth-(E)-ylidene]-5-p-tolyl-3H-furan-2-one, 3-[1-Thiophen-2-yl-meth-(Z)-ylidene]-5-p-tolyl-3H-furan-2-one
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 4.03782 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 661.2843 |
Chemical Identifiers
| CAS Number | 100046-82-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C/C(=C\C3=CC=CS3)/C(=O)O2 |
Product Overview
(3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one (CAS 100046-82-0), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one.
Chemical Property Profile of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
Property Insights of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
The XLogP value of 4.03782 indicates that (3E)-5-(4-methylphenyl)-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 26.3 Ų, (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-5-(4-methylphenyl)-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 (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The CAS number of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is 100046-82-0.
What is the molecular formula of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The molecular formula of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is C16H12O2S.
What is the molecular weight of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
The molecular weight of (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one is 268.06 g/mol.
Where can I buy (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
You can request a quote for (3E)-5-(4-methylphenyl)-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 (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-5-(4-methylphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.