乙酸-4-氟丁酯
TL;DR: 乙酸-4-氟丁酯 (CAS 373-09-1) is a chemical compound with molecular formula C6H11FO2 and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸-4-氟丁酯
4-fluorobutyl acetate
Also Known As: 4-Fluorobutyl acetate, 4-Fluorobutyl=acetate, ACETIC ACID, 4-FLUOROBUTYL ESTER, PYRIDOXAMINE-5'-PHOSPHATE, acetic acid-(4-fluoro-butyl ester)
| Molecular Formula | C6H11FO2 |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 134.07431 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 373-09-1 |
|---|---|
| SMILES | CC(=O)OCCCCF |
| InChIKey | APLJRWZEMBRHHT-UHFFFAOYSA-N |
Product Overview
乙酸-4-氟丁酯 (CAS 373-09-1), with molecular formula C6H11FO2 and molecular weight 134.07 g/mol. IUPAC: 4-fluorobutyl acetate.
Chemical Property Profile of 乙酸-4-氟丁酯
Property Insights of 乙酸-4-氟丁酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸-4-氟丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸-4-氟丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸-4-氟丁酯 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 乙酸-4-氟丁酯?
The CAS number of 乙酸-4-氟丁酯 is 373-09-1.
What is the molecular formula of 乙酸-4-氟丁酯?
The molecular formula of 乙酸-4-氟丁酯 is C6H11FO2.
What is the molecular weight of 乙酸-4-氟丁酯?
The molecular weight of 乙酸-4-氟丁酯 is 134.07 g/mol.
Where can I buy 乙酸-4-氟丁酯?
You can request a quote for 乙酸-4-氟丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸-4-氟丁酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸-4-氟丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.