(2E)-3-(4-fluorophenyl)but-2-enoic acid
TL;DR: (2E)-3-(4-fluorophenyl)but-2-enoic acid (CAS 295329-89-4) is a chemical compound with molecular formula C10H9FO2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)but-2-enoic acid
Also Known As: 2-Octyn-1-ol, (2E)-3-(4-fluorophenyl)but-2-enoic acid, 3-(4-fluorophenyl)but-2-enoic acid, (E)-3-(4-fluorophenyl)but-2-enoic acid, 3-(4-fluorophenyl)but-2-enoicacid
| Molecular Formula | C10H9FO2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.05865 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 295329-89-4 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/C1=CC=C(C=C1)F |
| InChIKey | DCEOLKDAOUIFHW-VOTSOKGWSA-N |
Product Overview
(2E)-3-(4-fluorophenyl)but-2-enoic acid (CAS 295329-89-4), with molecular formula C10H9FO2 and molecular weight 180.06 g/mol. IUPAC: (E)-3-(4-fluorophenyl)but-2-enoic acid.
Chemical Property Profile of (2E)-3-(4-fluorophenyl)but-2-enoic acid
Property Insights of (2E)-3-(4-fluorophenyl)but-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-fluorophenyl)but-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(4-fluorophenyl)but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-fluorophenyl)but-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 (2E)-3-(4-fluorophenyl)but-2-enoic acid?
The CAS number of (2E)-3-(4-fluorophenyl)but-2-enoic acid is 295329-89-4.
What is the molecular formula of (2E)-3-(4-fluorophenyl)but-2-enoic acid?
The molecular formula of (2E)-3-(4-fluorophenyl)but-2-enoic acid is C10H9FO2.
What is the molecular weight of (2E)-3-(4-fluorophenyl)but-2-enoic acid?
The molecular weight of (2E)-3-(4-fluorophenyl)but-2-enoic acid is 180.06 g/mol.
Where can I buy (2E)-3-(4-fluorophenyl)but-2-enoic acid?
You can request a quote for (2E)-3-(4-fluorophenyl)but-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 (2E)-3-(4-fluorophenyl)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-fluorophenyl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.