2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride
TL;DR: 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride (CAS 1052417-43-2) is a chemical compound with molecular formula C11H15ClFNO2 and molecular weight 247.07753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)ethyl 3-fluorobenzoate;hydrochloride
Also Known As: 2-dimethylaminoethyl 3-fluorobenzoate Hydrochloride, 2-(DIMETHYLAMINO)ETHYL 3-FLUOROBENZOATE HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.07753 g/mol |
| XLogP | 1.9659 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.07753 Da |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
| SMILES | CN(C)CCOC(=O)C1=CC(=CC=C1)F.Cl |
| InChIKey | RXAPQSDNBUCTIL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride
Property Insights of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride
The XLogP value of 1.9659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride?
The CAS number of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride is 1052417-43-2.
What is the molecular formula of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride?
The molecular formula of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride is C11H15ClFNO2.
What is the molecular weight of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride?
The molecular weight of 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride is 247.07753 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride?
You can request a quote for 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-(Dimethylamino)ethyl 3-fluorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.