2-(Diethylamino)ethyl 3-fluorobenzoate
TL;DR: 2-(Diethylamino)ethyl 3-fluorobenzoate (CAS 2994-22-1) is a chemical compound with molecular formula C13H18FNO2 and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-fluorobenzoate
Also Known As: 2-(Diethylamino)ethyl 3-fluorobenzoate, 3-Fluorobenzoicacid,2- ethylester, 2-diethylaminoethyl 3-fluorobenzoate, 2-(Diethylamino)ethyl 3-fluorobenzoate #, 3-Fluorobenzoic acid, 2-(diethylamino)ethyl ester
| Molecular Formula | C13H18FNO2 |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.13216 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 2994-22-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC(=CC=C1)F |
| InChIKey | PDKMSOJVTMBNSH-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 3-fluorobenzoate (CAS 2994-22-1), with molecular formula C13H18FNO2 and molecular weight 239.13 g/mol. IUPAC: 2-(diethylamino)ethyl 3-fluorobenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 3-fluorobenzoate
Property Insights of 2-(Diethylamino)ethyl 3-fluorobenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl 3-fluorobenzoate. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Diethylamino)ethyl 3-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-fluorobenzoate has 0 hydrogen bond donor(s) and 4 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-(Diethylamino)ethyl 3-fluorobenzoate?
The CAS number of 2-(Diethylamino)ethyl 3-fluorobenzoate is 2994-22-1.
What is the molecular formula of 2-(Diethylamino)ethyl 3-fluorobenzoate?
The molecular formula of 2-(Diethylamino)ethyl 3-fluorobenzoate is C13H18FNO2.
What is the molecular weight of 2-(Diethylamino)ethyl 3-fluorobenzoate?
The molecular weight of 2-(Diethylamino)ethyl 3-fluorobenzoate is 239.13 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-fluorobenzoate?
You can request a quote for 2-(Diethylamino)ethyl 3-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.