Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride
TL;DR: Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride (CAS 59921-93-6) is a chemical compound with molecular formula C16H23ClFNO and molecular weight 299.14523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dimethylpyrrolidin-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: 4-(2,5-Dimethylpyrrolidinyl)-4'-fluorobutyrophenone hydrochloride, BUTYROPHENONE, 4-(2,5-DIMETHYL-PYRROLIDINYL)-4'-FLUORO-, HYDROCHLORIDE, 4-(2,5-Dimethylpyrrolidin-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-onechloride, 4-(2,5-dimethylpyrrolidin-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Technical Specifications
| Molecular Formula | C16H23ClFNO |
| Molecular Weight | 299.14523 g/mol |
| XLogP | -0.75 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.14523 Da |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
| SMILES | CC1CCC([NH+]1CCCC(=O)C2=CC=C(C=C2)F)C.[Cl-] |
| InChIKey | UVXZDRUCKJAHMR-UHFFFAOYSA-N |
Chemical Property Profile of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride
Property Insights of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride
The XLogP value of -0.75 indicates that Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride?
The CAS number of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride is 59921-93-6.
What is the molecular formula of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride?
The molecular formula of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride is C16H23ClFNO.
What is the molecular weight of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride?
The molecular weight of Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride is 299.14523 g/mol.
Where can I buy Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride?
You can request a quote for Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.