5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride
TL;DR: 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride (CAS 29229-75-2) is a chemical compound with molecular formula C17H21ClFNO2 and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)hex-5-yn-1-one chloride
Also Known As: 4'-Fluoro-2-morpholinomethyl-5-hexynophenone hydrochloride, 5-HEXYNOPHENONE, 4'-FLUORO-2-MORPHOLINOMETHYL-, HYDROCHLORIDE, 1-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)hex-5-yn-1-one chloride, 5-Hexynophenone, 4'-fluoro-2-(morpholinomethyl)-, hydrochloride, RefChem:303326
| Molecular Formula | C17H21ClFNO2 |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | -2.04 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.12448 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 29229-75-2 |
|---|---|
| SMILES | C#CCCC(C[NH+]1CCOCC1)C(=O)C2=CC=C(C=C2)F.[Cl-] |
| InChIKey | CUJZTIQIZKZNHN-UHFFFAOYSA-N |
Product Overview
5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride (CAS 29229-75-2), with molecular formula C17H21ClFNO2 and molecular weight 325.12 g/mol. IUPAC: 1-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)hex-5-yn-1-one chloride.
Chemical Property Profile of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride
Property Insights of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride
The XLogP value of -2.04 indicates that 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, 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, 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, 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 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride?
The CAS number of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride is 29229-75-2.
What is the molecular formula of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride?
The molecular formula of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride is C17H21ClFNO2.
What is the molecular weight of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride?
The molecular weight of 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride is 325.12 g/mol.
Where can I buy 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride?
You can request a quote for 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexynophenone, 4'-fluoro-2-morpholinomethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.