(E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid
TL;DR: (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid (CAS 383162-17-2) is a chemical compound with molecular formula C12H7FO4 and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(7-fluoro-4-oxochromen-3-yl)prop-2-enoic acid
Also Known As: (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid, 3-(7-fluoro-4-oxo-chromen-3-yl)prop-2-enoic Acid, (E)-3-(7-fluoro-4-oxochromen-3-yl)prop-2-enoic acid
| Molecular Formula | C12H7FO4 |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 2.0299 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.03284 |
| Heavy Atoms | 17 |
| Complexity | 669.75024 |
Chemical Identifiers
| CAS Number | 383162-17-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)OC=C(C2=O)/C=C/C(=O)O |
Product Overview
(E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid (CAS 383162-17-2), with molecular formula C12H7FO4 and molecular weight 234.03 g/mol. IUPAC: (E)-3-(7-fluoro-4-oxochromen-3-yl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid
Property Insights of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid
The XLogP value of 2.0299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid has 1 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 (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid?
The CAS number of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid is 383162-17-2.
What is the molecular formula of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid?
The molecular formula of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid is C12H7FO4.
What is the molecular weight of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid?
The molecular weight of (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid is 234.03 g/mol.
Where can I buy (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid?
You can request a quote for (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(7-fluoro-4-oxo-4H-chromen-3-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.