Palerol comp.
TL;DR: Palerol comp. (CAS 76515-03-2) is a chemical compound with molecular formula C54H69BrN7NaO9S and molecular weight 1093.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one;(6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide
Also Known As: Palerol comp., Palerol, Dipyrone / piperylone / tropenzilium bromide, Dipyrone mixture with piperylone and tropenzilium bromide, sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one;(6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide
| Molecular Formula | C54H69BrN7NaO9S |
|---|---|
| Molecular Weight | 1093.40 g/mol |
| LogP | -0.03578 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 1093.3959 |
| Heavy Atoms | 73 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 76515-03-2 |
|---|---|
| SMILES | CCC1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Na+].[Br-] |
| InChIKey | WKCGRFVAKGIZTB-UHFFFAOYSA-L |
Product Overview
Palerol comp. (CAS 76515-03-2), with molecular formula C54H69BrN7NaO9S and molecular weight 1093.40 g/mol. IUPAC: sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one;(6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide.
Chemical Property Profile of Palerol comp.
Property Insights of Palerol comp.
The XLogP value of -0.03578 indicates that Palerol comp. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting Palerol comp. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Palerol comp. has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Palerol comp.?
The CAS number of Palerol comp. is 76515-03-2.
What is the molecular formula of Palerol comp.?
The molecular formula of Palerol comp. is C54H69BrN7NaO9S.
What is the molecular weight of Palerol comp.?
The molecular weight of Palerol comp. is 1093.40 g/mol.
Where can I buy Palerol comp.?
You can request a quote for Palerol comp. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palerol comp.?
Yes, KEHONG BIO provides custom synthesis services for Palerol comp. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.