Methyl 2-(4-fluorophenyl)pent-4-enoate
TL;DR: Methyl 2-(4-fluorophenyl)pent-4-enoate (CAS 67031-08-7) is a chemical compound with molecular formula C12H13FO2 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-fluorophenyl)pent-4-enoate
Also Known As: methyl 2-(4-fluorophenyl)pent-4-enoate
| Molecular Formula | C12H13FO2 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.08995 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 67031-08-7 |
|---|---|
| SMILES | COC(=O)C(CC=C)C1=CC=C(C=C1)F |
| InChIKey | OSMQOTBTGUPQAK-UHFFFAOYSA-N |
Product Overview
Methyl 2-(4-fluorophenyl)pent-4-enoate (CAS 67031-08-7), with molecular formula C12H13FO2 and molecular weight 208.09 g/mol. IUPAC: methyl 2-(4-fluorophenyl)pent-4-enoate.
Chemical Property Profile of Methyl 2-(4-fluorophenyl)pent-4-enoate
Property Insights of Methyl 2-(4-fluorophenyl)pent-4-enoate
The XLogP value of 3.0 indicates that Methyl 2-(4-fluorophenyl)pent-4-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(4-fluorophenyl)pent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-fluorophenyl)pent-4-enoate has 0 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 Methyl 2-(4-fluorophenyl)pent-4-enoate?
The CAS number of Methyl 2-(4-fluorophenyl)pent-4-enoate is 67031-08-7.
What is the molecular formula of Methyl 2-(4-fluorophenyl)pent-4-enoate?
The molecular formula of Methyl 2-(4-fluorophenyl)pent-4-enoate is C12H13FO2.
What is the molecular weight of Methyl 2-(4-fluorophenyl)pent-4-enoate?
The molecular weight of Methyl 2-(4-fluorophenyl)pent-4-enoate is 208.09 g/mol.
Where can I buy Methyl 2-(4-fluorophenyl)pent-4-enoate?
You can request a quote for Methyl 2-(4-fluorophenyl)pent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-fluorophenyl)pent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-fluorophenyl)pent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.