RefChem:349727
TL;DR: RefChem:349727 (CAS 102395-65-3) is a chemical compound with molecular formula C23H27ClFNO3 and molecular weight 419.16635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[3-(4-fluorophenyl)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(2-(p-fluorobenzoyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride, 1-(2-(p-Fluorobenzoyl)ethyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, 4-Fluorophenyl-2-(4-carbethoxy-4-phenylpiperidino)ethyl ketone hydrochloride, 4-(ethoxycarbonyl)-1-[3-(4-fluorophenyl)-3-oxopropyl]-4-phenylpiperidinium chloride, ethyl 1-[3-(4-fluorophenyl)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Technical Specifications
| Molecular Formula | C23H27ClFNO3 |
| Molecular Weight | 419.16635 g/mol |
| XLogP | -0.42 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.16635 Da |
| Heavy Atoms | 29 |
| Complexity | 516.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Cl-] |
| InChIKey | MGGVEQTYGWIXEV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349727
Property Insights of RefChem:349727
The XLogP value of -0.42 indicates that RefChem:349727 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, RefChem:349727 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349727 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:349727?
The CAS number of RefChem:349727 is 102395-65-3.
What is the molecular formula of RefChem:349727?
The molecular formula of RefChem:349727 is C23H27ClFNO3.
What is the molecular weight of RefChem:349727?
The molecular weight of RefChem:349727 is 419.16635 g/mol.
Where can I buy RefChem:349727?
You can request a quote for RefChem:349727 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349727?
Yes, CoreyChem provides custom synthesis services for RefChem:349727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.