Haloperidide oxalate
TL;DR: Haloperidide oxalate (CAS 2256-06-6) is a chemical compound with molecular formula C28H32ClFN2O6 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenylbutan-1-one;oxalate
Also Known As: Haloperidide oxalate, Butyrophenone, 4-(4-(m-chlorophenyl)-4-(1-pyrrolidinylcarbonyl)piperidino)-4-fluoro-, oxalate, 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenylbutan-1-one; oxalate, 4-[4-(3-Chlorophenyl)-4-(Pyrrolidin-1-Ium-1-Carbonyl)Piperidin-1-Ium-1-Yl]-4-Fluoro-1-Phenylbutan-1-One Oxalate, RefChem:347077
| Molecular Formula | C28H32ClFN2O6 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | -1.09 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.1933 |
| Heavy Atoms | 38 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 2256-06-6 |
|---|---|
| SMILES | C1CC[NH+](C1)C(=O)C2(CC[NH+](CC2)C(CCC(=O)C3=CC=CC=C3)F)C4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])[O-] |
| InChIKey | CNEOZRIZTKXNDU-UHFFFAOYSA-N |
Product Overview
Haloperidide oxalate (CAS 2256-06-6), with molecular formula C28H32ClFN2O6 and molecular weight 546.19 g/mol. IUPAC: 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenylbutan-1-one;oxalate.
Chemical Property Profile of Haloperidide oxalate
Property Insights of Haloperidide oxalate
The XLogP value of -1.09 indicates that Haloperidide oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Haloperidide oxalate. Following Lipinski's Rule of Five, Haloperidide oxalate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Haloperidide oxalate?
The CAS number of Haloperidide oxalate is 2256-06-6.
What is the molecular formula of Haloperidide oxalate?
The molecular formula of Haloperidide oxalate is C28H32ClFN2O6.
What is the molecular weight of Haloperidide oxalate?
The molecular weight of Haloperidide oxalate is 546.19 g/mol.
Where can I buy Haloperidide oxalate?
You can request a quote for Haloperidide oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Haloperidide oxalate?
Yes, KEHONG BIO provides custom synthesis services for Haloperidide oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.