Methyl 4-(4-fluorophenyl)butanoate
TL;DR: Methyl 4-(4-fluorophenyl)butanoate (CAS 20637-05-2) is a chemical compound with molecular formula C11H13FO2 and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-fluorophenyl)butanoate
Also Known As: Methyl 4-(4-fluorophenyl)butanoate, 4- butyricacidmethylester, Methyl 4-fluorobenzenebutanoate, 4-(4-Fluorophenyl)butanoic acid methyl ester, Butyric acid, 4-(p-fluorophenyl)-, methyl ester
| Molecular Formula | C11H13FO2 |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.08995 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 20637-05-2 |
|---|---|
| SMILES | COC(=O)CCCC1=CC=C(C=C1)F |
| InChIKey | OZOJNBOWCVAQPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(4-fluorophenyl)butanoate (CAS 20637-05-2), with molecular formula C11H13FO2 and molecular weight 196.09 g/mol. IUPAC: methyl 4-(4-fluorophenyl)butanoate.
Chemical Property Profile of Methyl 4-(4-fluorophenyl)butanoate
Property Insights of Methyl 4-(4-fluorophenyl)butanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-fluorophenyl)butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-(4-fluorophenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-fluorophenyl)butanoate 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 4-(4-fluorophenyl)butanoate?
The CAS number of Methyl 4-(4-fluorophenyl)butanoate is 20637-05-2.
What is the molecular formula of Methyl 4-(4-fluorophenyl)butanoate?
The molecular formula of Methyl 4-(4-fluorophenyl)butanoate is C11H13FO2.
What is the molecular weight of Methyl 4-(4-fluorophenyl)butanoate?
The molecular weight of Methyl 4-(4-fluorophenyl)butanoate is 196.09 g/mol.
Where can I buy Methyl 4-(4-fluorophenyl)butanoate?
You can request a quote for Methyl 4-(4-fluorophenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-fluorophenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-fluorophenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.