2-氟丁酸异丙酯
TL;DR: 2-氟丁酸异丙酯 (CAS 63867-20-9) is a chemical compound with molecular formula C7H13FO2 and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氟丁酸异丙酯
propan-2-yl 2-fluorobutanoate
Also Known As: Isopropyl 2-fluorobutyrate, propan-2-yl 2-fluorobutanoate, 2-Fluorobutyricacidisopropylester, BUTYRIC ACID, 2-FLUORO-, ISOPROPYL ESTER, 2-FLUOROBUTYRIC ACID ISOPROPYL ESTER
| Molecular Formula | C7H13FO2 |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.08995 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 63867-20-9 |
|---|---|
| SMILES | CCC(C(=O)OC(C)C)F |
| InChIKey | SIKPUIVEAYEIBW-UHFFFAOYSA-N |
Product Overview
2-氟丁酸异丙酯 (CAS 63867-20-9), with molecular formula C7H13FO2 and molecular weight 148.09 g/mol. IUPAC: propan-2-yl 2-fluorobutanoate.
Chemical Property Profile of 2-氟丁酸异丙酯
Property Insights of 2-氟丁酸异丙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氟丁酸异丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-氟丁酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氟丁酸异丙酯 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 2-氟丁酸异丙酯?
The CAS number of 2-氟丁酸异丙酯 is 63867-20-9.
What is the molecular formula of 2-氟丁酸异丙酯?
The molecular formula of 2-氟丁酸异丙酯 is C7H13FO2.
What is the molecular weight of 2-氟丁酸异丙酯?
The molecular weight of 2-氟丁酸异丙酯 is 148.09 g/mol.
Where can I buy 2-氟丁酸异丙酯?
You can request a quote for 2-氟丁酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氟丁酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氟丁酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.