3-Fluorophenyl butyrate
TL;DR: 3-Fluorophenyl butyrate (CAS 29052-04-8) is a chemical compound with molecular formula C10H11FO2 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl) butanoate
Also Known As: 3-Fluorophenyl butyrate, 3-fluorophenyl butanoate, (3-fluorophenyl) butanoate, 3-Fluorophenyl butyrate #, Butyric acid, m-fluorophenyl ester
| Molecular Formula | C10H11FO2 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.07431 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 29052-04-8 |
|---|---|
| SMILES | CCCC(=O)OC1=CC(=CC=C1)F |
| InChIKey | SHCNTDLJWWRFEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluorophenyl butyrate (CAS 29052-04-8), with molecular formula C10H11FO2 and molecular weight 182.07 g/mol. IUPAC: (3-fluorophenyl) butanoate.
Chemical Property Profile of 3-Fluorophenyl butyrate
Property Insights of 3-Fluorophenyl butyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorophenyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Fluorophenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorophenyl butyrate 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 3-Fluorophenyl butyrate?
The CAS number of 3-Fluorophenyl butyrate is 29052-04-8.
What is the molecular formula of 3-Fluorophenyl butyrate?
The molecular formula of 3-Fluorophenyl butyrate is C10H11FO2.
What is the molecular weight of 3-Fluorophenyl butyrate?
The molecular weight of 3-Fluorophenyl butyrate is 182.07 g/mol.
Where can I buy 3-Fluorophenyl butyrate?
You can request a quote for 3-Fluorophenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorophenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorophenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.