(2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal
TL;DR: (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal (CAS 124980-70-7) is a chemical compound with molecular formula C12H7FO3 and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enal
Also Known As: (E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enal, (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal, (E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)acrylaldehyde
| Molecular Formula | C12H7FO3 |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 2.1442 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.03792 |
| Heavy Atoms | 16 |
| Complexity | 625.68677 |
Chemical Identifiers
| CAS Number | 124980-70-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=CO2)/C=C/C=O |
Product Overview
(2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal (CAS 124980-70-7), with molecular formula C12H7FO3 and molecular weight 218.04 g/mol. IUPAC: (E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enal.
Chemical Property Profile of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal
Property Insights of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal
The XLogP value of 2.1442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal. With a topological polar surface area (TPSA) of 47.28 Ų, (2E)-3-(6-fluoro-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-(6-fluoro-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
Frequently Asked Questions
What is the CAS number of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal?
The CAS number of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal is 124980-70-7.
What is the molecular formula of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal?
The molecular formula of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal is C12H7FO3.
What is the molecular weight of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal?
The molecular weight of (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal is 218.04 g/mol.
Where can I buy (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal?
You can request a quote for (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(6-fluoro-4-oxo-4H-chromen-3-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.