![3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid structure](/static/products/876/876866-79-4.png)
3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
TL;DR: 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid (CAS 876866-79-4) is a chemical compound with molecular formula C12H8FNO2S and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
Also Known As: (2E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid, 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid, (2E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acrylic acid, (E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic Acid, 3-(2-(4-Fluorophenyl)thiazol-4-yl)acrylic acid
| Molecular Formula | C12H8FNO2S |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 3.047 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.02597 |
| Heavy Atoms | 17 |
| Complexity | 560.1395 |
Chemical Identifiers
| CAS Number | 876866-79-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=CS2)/C=C/C(=O)O)F |
Product Overview
3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid (CAS 876866-79-4), with molecular formula C12H8FNO2S and molecular weight 249.03 g/mol. IUPAC: (E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
Property Insights of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
The XLogP value of 3.047 indicates that 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic 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 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid?
The CAS number of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid is 876866-79-4.
What is the molecular formula of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid?
The molecular formula of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid is C12H8FNO2S.
What is the molecular weight of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid?
The molecular weight of 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid is 249.03 g/mol.
Where can I buy 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid?
You can request a quote for 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.