3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride
TL;DR: 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride (CAS 1049746-85-1) is a chemical compound with molecular formula C12H17ClFNO2 and molecular weight 261.09317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)propyl 4-fluorobenzoate;hydrochloride
Also Known As: 3-(dimethylamino)propyl 4-fluorobenzoate hydrochloride, 3-dimethylaminopropyl 4-fluorobenzoate Hydrochloride
Technical Specifications
| Molecular Formula | C12H17ClFNO2 |
| Molecular Weight | 261.09317 g/mol |
| XLogP | 2.356 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.09317 Da |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
| SMILES | CN(C)CCCOC(=O)C1=CC=C(C=C1)F.Cl |
| InChIKey | PRSBJYZSPBYVHP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride
Property Insights of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride
The XLogP value of 2.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 4-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 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride?
The CAS number of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride is 1049746-85-1.
What is the molecular formula of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride?
The molecular formula of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride is C12H17ClFNO2.
What is the molecular weight of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride?
The molecular weight of 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride is 261.09317 g/mol.
Where can I buy 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride?
You can request a quote for 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethylamino)propyl 4-fluorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.