4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide
TL;DR: 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide (CAS 4303-88-2) is a chemical compound with molecular formula C12H18BrNO2 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol bromide
Also Known As: Hemicholinium-15 bromide, 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide, 4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol;bromide, 2-hydroxy-4,4-dimethyl-2-phenylmorpholin-4-ium bromide, Morpholinium,4-dimethyl-2-phenyl-, bromide
| Molecular Formula | C12H18BrNO2 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | -2.0577 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.0521 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 4303-88-2 |
|---|---|
| SMILES | C[N+]1(CCOC(C1)(C2=CC=CC=C2)O)C.[Br-] |
| InChIKey | VQGRNOCAQVTQAI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide (CAS 4303-88-2), with molecular formula C12H18BrNO2 and molecular weight 287.05 g/mol. IUPAC: 4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol bromide.
Chemical Property Profile of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide
Property Insights of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide
The XLogP value of -2.0577 indicates that 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide 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-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide?
The CAS number of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide is 4303-88-2.
What is the molecular formula of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide?
The molecular formula of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide is C12H18BrNO2.
What is the molecular weight of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide?
The molecular weight of 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide is 287.05 g/mol.
Where can I buy 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide?
You can request a quote for 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-hydroxy-2-phenylmorpholinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.