3-(4-fluorophenyl)-2-methyl-2-Propenal
TL;DR: 3-(4-fluorophenyl)-2-methyl-2-Propenal (CAS 78495-95-1) is a chemical compound with molecular formula C10H9FO and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-methylprop-2-enal
Also Known As: 3-(4-fluorophenyl)-2-methyl-2-Propenal, 3-(4-fluorophenyl)-2-methylprop-2-enal, 2-Propenal, 3-(4-fluorophenyl)-2-methyl-, 3-(4-Fluorophenyl)-2-methyl-2-propen-1-al
| Molecular Formula | C10H9FO |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.06374 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 78495-95-1 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)F)C=O |
| InChIKey | KGIKBRYVRUTDGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-fluorophenyl)-2-methyl-2-Propenal (CAS 78495-95-1), with molecular formula C10H9FO and molecular weight 164.06 g/mol. IUPAC: 3-(4-fluorophenyl)-2-methylprop-2-enal.
Chemical Property Profile of 3-(4-fluorophenyl)-2-methyl-2-Propenal
Property Insights of 3-(4-fluorophenyl)-2-methyl-2-Propenal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorophenyl)-2-methyl-2-Propenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(4-fluorophenyl)-2-methyl-2-Propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-2-methyl-2-Propenal 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 3-(4-fluorophenyl)-2-methyl-2-Propenal?
The CAS number of 3-(4-fluorophenyl)-2-methyl-2-Propenal is 78495-95-1.
What is the molecular formula of 3-(4-fluorophenyl)-2-methyl-2-Propenal?
The molecular formula of 3-(4-fluorophenyl)-2-methyl-2-Propenal is C10H9FO.
What is the molecular weight of 3-(4-fluorophenyl)-2-methyl-2-Propenal?
The molecular weight of 3-(4-fluorophenyl)-2-methyl-2-Propenal is 164.06 g/mol.
Where can I buy 3-(4-fluorophenyl)-2-methyl-2-Propenal?
You can request a quote for 3-(4-fluorophenyl)-2-methyl-2-Propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-2-methyl-2-Propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-2-methyl-2-Propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.