4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride
TL;DR: 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride (CAS 3935-02-2) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ium-4-yl-1-phenylbutan-1-one chloride
Also Known As: 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride, BUTYROPHENONE, 4-MORPHOLINO-, HYDROCHLORIDE, 4-morpholin-4-ium-4-yl-1-phenylbutan-1-one chloride
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | -2.43 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 3935-02-2 |
|---|---|
| SMILES | C1COCC[NH+]1CCCC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | HKITVDZJQBWNTO-UHFFFAOYSA-N |
Product Overview
4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride (CAS 3935-02-2), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: 4-morpholin-4-ium-4-yl-1-phenylbutan-1-one chloride.
Chemical Property Profile of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride
Property Insights of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride
The XLogP value of -2.43 indicates that 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride 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, 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride 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
Frequently Asked Questions
What is the CAS number of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride?
The CAS number of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride is 3935-02-2.
What is the molecular formula of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride?
The molecular formula of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride is C14H20ClNO2.
What is the molecular weight of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride?
The molecular weight of 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride is 269.12 g/mol.
Where can I buy 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride?
You can request a quote for 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Oxo-4-phenylbutyl)morpholin-4-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.