Methyl 3-chloro-4-fluorobutanoate
TL;DR: Methyl 3-chloro-4-fluorobutanoate (CAS 541-86-6) is a chemical compound with molecular formula C5H8ClFO2 and molecular weight 154.01968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-chloro-4-fluorobutanoate
Also Known As: methyl 3-chloro-4-fluorobutanoate, Methyl beta-chloro-gamma-fluorobutyrate, 3-Chloro-4-fluorobutanoic acid methyl ester, 3-CHLORO-4-FLUORO-BUTYRIC ACID METHYL ESTER, 3-Chloro-4-fluorobutanoicacidmethylester
Technical Specifications
| Molecular Formula | C5H8ClFO2 |
| Molecular Weight | 154.01968 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.01968 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| SMILES | COC(=O)CC(CF)Cl |
| InChIKey | XVXXASQNBGWQHF-UHFFFAOYSA-N |
Product Description
Applications: Methyl 3-chloro-4-fluorobutanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl 3-chloro-4-fluorobutanoate (CAS 541-86-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl 3-chloro-4-fluorobutanoate (CAS 541-86-6) is a fine chemical with the molecular formula C5H8ClFO2 and a molecular weight of 154.02 g/mol. It is also known as methyl 3-chloro-4-fluorobutanoate and Methyl beta-chloro-gamma-fluorobutyrate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methyl 3-chloro-4-fluorobutanoate
Property Insights of Methyl 3-chloro-4-fluorobutanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-4-fluorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-chloro-4-fluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-4-fluorobutanoate 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
What is the CAS number of Methyl 3-chloro-4-fluorobutanoate?
The CAS number of Methyl 3-chloro-4-fluorobutanoate is 541-86-6.
What is the molecular formula of Methyl 3-chloro-4-fluorobutanoate?
The molecular formula of Methyl 3-chloro-4-fluorobutanoate is C5H8ClFO2.
What is the molecular weight of Methyl 3-chloro-4-fluorobutanoate?
The molecular weight of Methyl 3-chloro-4-fluorobutanoate is 154.01968 g/mol.
What are the applications of Methyl 3-chloro-4-fluorobutanoate?
Methyl 3-chloro-4-fluorobutanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl 3-chloro-4-fluorobutanoate (CAS 541-86-6) with custom synthesis available from milligram to multi-kilogram...
Where can I buy Methyl 3-chloro-4-fluorobutanoate?
You can request a quote for Methyl 3-chloro-4-fluorobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-chloro-4-fluorobutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-chloro-4-fluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.