2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester
TL;DR: 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester (CAS 100891-10-9) 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 3-(4-fluorophenyl)prop-2-enoate
Also Known As: methyl 4-fluorocinnamate, methyl p-fluorocinnamate, methyl-4-fluorocinnamate, Methyl 3-(4-Fluorophenyl)Acrylate, Methyl 3-(4-fluorophenyl)prop-2-enoate
| 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 | 100891-10-9 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)F |
Product Overview
2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester (CAS 100891-10-9), with molecular formula C10H9FO2 and molecular weight 180.06 g/mol. IUPAC: methyl 3-(4-fluorophenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester
Property Insights of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester
The XLogP value of 2.0119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester 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 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester?
The CAS number of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester is 100891-10-9.
What is the molecular formula of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester?
The molecular formula of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester is C10H9FO2.
What is the molecular weight of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester?
The molecular weight of 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester is 180.06 g/mol.
Where can I buy 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester?
You can request a quote for 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(4-fluorophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.