Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride
TL;DR: Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 74427-19-3) is a chemical compound with molecular formula C16H23ClFNO2 and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-fluoroethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: N-(2-Fluoroethyl)-normeperidine hydrochloride, ISONIPECOTIC ACID, 1-(2-FLUOROETHYL)-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, ethyl 1-(2-fluoroethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride, RefChem:1087636
| Molecular Formula | C16H23ClFNO2 |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | -1.86 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.14014 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 74427-19-3 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCF)C2=CC=CC=C2.[Cl-] |
| InChIKey | NHFQFUIIFZUTTC-UHFFFAOYSA-N |
Product Overview
Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride (CAS 74427-19-3), with molecular formula C16H23ClFNO2 and molecular weight 315.14 g/mol. IUPAC: ethyl 1-(2-fluoroethyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride
Property Insights of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride
The XLogP value of -1.86 indicates that Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, 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
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride?
The CAS number of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride is 74427-19-3.
What is the molecular formula of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular formula of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride is C16H23ClFNO2.
What is the molecular weight of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride?
The molecular weight of Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride is 315.14 g/mol.
Where can I buy Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride?
You can request a quote for Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 1-(2-fluoroethyl)-4-phenyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.