(E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid
TL;DR: (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid (CAS 464924-70-7) is a chemical compound with molecular formula C6H5FN2O2 and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-fluoro-1H-imidazol-4-yl)prop-2-enoic acid
Also Known As: 2-Propenoicacid,3- -, -, 4-Fluoroimidazole-5-propenoic acid, (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid, (alphaE)-4-Fluoro-1H-imidazole-5-propenoic acid, (2E)-3-(4-fluoro-1H-imidazol-5-yl)prop-2-enoic acid
| Molecular Formula | C6H5FN2O2 |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 0.6466 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03351 |
| Heavy Atoms | 11 |
| Complexity | 292.5273 |
Chemical Identifiers
| CAS Number | 464924-70-7 |
|---|---|
| SMILES | C1=NC(=C(N1)F)/C=C/C(=O)O |
Product Overview
(E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid (CAS 464924-70-7), with molecular formula C6H5FN2O2 and molecular weight 156.03 g/mol. IUPAC: (E)-3-(5-fluoro-1H-imidazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid
Property Insights of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid
The XLogP value of 0.6466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid has 2 hydrogen bond donor(s) and 2 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-(5-fluoro-1H-imidazol-4-yl)acrylic acid?
The CAS number of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid is 464924-70-7.
What is the molecular formula of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid?
The molecular formula of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid is C6H5FN2O2.
What is the molecular weight of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid?
The molecular weight of (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid is 156.03 g/mol.
Where can I buy (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid?
You can request a quote for (E)-3-(5-fluoro-1H-imidazol-4-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-(5-fluoro-1H-imidazol-4-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-fluoro-1H-imidazol-4-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.