methyl (2E)-3-(4-fluorophenyl)prop-2-enoate
TL;DR: methyl (2E)-3-(4-fluorophenyl)prop-2-enoate (CAS 100891-18-7) 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.
methyl (E)-3-(4-fluorophenyl)prop-2-enoate
Also Known As: methyl 4-fluorocinnamate, Methyl 3-(4-Fluorophenyl)Acrylate, (E)-METHYL 3-(4-FLUOROPHENYL)ACRYLATE, methyl p-fluorocinnamate, Methyl 4-fluorocinnamate, predominantly trans
| Molecular Formula | C10H9FO2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 2.0119 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.05865 |
| Heavy Atoms | 13 |
| Complexity | 314.20157 |
Chemical Identifiers
| CAS Number | 100891-18-7 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC=C(C=C1)F |
Product Overview
methyl (2E)-3-(4-fluorophenyl)prop-2-enoate (CAS 100891-18-7), with molecular formula C10H9FO2 and molecular weight 180.06 g/mol. IUPAC: methyl (E)-3-(4-fluorophenyl)prop-2-enoate.
Chemical Property Profile of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate
Property Insights of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate
The XLogP value of 2.0119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-3-(4-fluorophenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl (2E)-3-(4-fluorophenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-3-(4-fluorophenyl)prop-2-enoate has 0 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 methyl (2E)-3-(4-fluorophenyl)prop-2-enoate?
The CAS number of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate is 100891-18-7.
What is the molecular formula of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate?
The molecular formula of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate is C10H9FO2.
What is the molecular weight of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate?
The molecular weight of methyl (2E)-3-(4-fluorophenyl)prop-2-enoate is 180.06 g/mol.
Where can I buy methyl (2E)-3-(4-fluorophenyl)prop-2-enoate?
You can request a quote for methyl (2E)-3-(4-fluorophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-3-(4-fluorophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-3-(4-fluorophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.