![2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one structure](/static/products/138/138958-41-5.png)
2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
TL;DR: 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one (CAS 138958-41-5) is a chemical compound with molecular formula C12H12O2S and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
Also Known As: 2,2-Dimethyl-5-[2-(thien-3-yl)ethenyl]-3(2H)-furanone, 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one, 2,2-dimethyl-5-[(1E)-2-(thiophen-3-yl)ethenyl]-2,3-dihydrofuran-3-one
| Molecular Formula | C12H12O2S |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 3.0231 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0558 |
| Heavy Atoms | 15 |
| Complexity | 424.4844 |
Chemical Identifiers
| CAS Number | 138958-41-5 |
|---|---|
| SMILES | CC1(C(=O)C=C(O1)/C=C/C2=CSC=C2)C |
Product Overview
2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one (CAS 138958-41-5), with molecular formula C12H12O2S and molecular weight 220.06 g/mol. IUPAC: 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one.
Chemical Property Profile of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
Property Insights of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
The XLogP value of 3.0231 indicates that 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-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, 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-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 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The CAS number of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is 138958-41-5.
What is the molecular formula of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The molecular formula of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is C12H12O2S.
What is the molecular weight of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The molecular weight of 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is 220.06 g/mol.
Where can I buy 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
You can request a quote for 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.