(2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal
TL;DR: (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal (CAS 125742-80-5) is a chemical compound with molecular formula C12H8O3 and molecular weight 200.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-oxochromen-3-yl)prop-2-enal
Also Known As: 3-(4-oxo-4H-chromen-3-yl)acrylaldehyde, (E)-3-(4-oxochromen-3-yl)prop-2-enal, 3-(4-oxo-4H-chromen-3-yl)prop-2-enal, (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal, J1.188.722H
Technical Specifications
| Molecular Formula | C12H8O3 |
| Molecular Weight | 200.04735 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.04735 Da |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C/C=O |
| InChIKey | DCPRFNVBXFOOCK-ONEGZZNKSA-N |
Chemical Property Profile of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal
Property Insights of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal. With a topological polar surface area (TPSA) of 43.4 Ų, (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal 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 (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal?
The CAS number of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal is 125742-80-5.
What is the molecular formula of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal?
The molecular formula of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal is C12H8O3.
What is the molecular weight of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal?
The molecular weight of (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal is 200.04735 g/mol.
Where can I buy (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal?
You can request a quote for (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.