3-(4-Methoxy-benzylidene)-dihydro-furan-2-one
TL;DR: 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one (CAS 40011-27-6) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[(4-methoxyphenyl)methylidene]oxolan-2-one
Also Known As: KST-1A1658, BAS 00189714, BIM-0013351.P001, (3E)-3-[(4-methoxyphenyl)methylidene]oxolan-2-one, 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/2\CCOC2=O |
| InChIKey | MBSKMEQHKIKWQZ-CSKARUKUSA-N |
Chemical Property Profile of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one
Property Insights of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxy-benzylidene)-dihydro-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
What is the CAS number of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one?
The CAS number of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one is 40011-27-6.
What is the molecular formula of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one?
The molecular formula of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one is C12H12O3.
What is the molecular weight of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one?
The molecular weight of 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one is 204.07864 g/mol.
Where can I buy 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one?
You can request a quote for 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methoxy-benzylidene)-dihydro-furan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.