RefChem:1097900
TL;DR: RefChem:1097900 (CAS 34051-87-1) is a chemical compound with molecular formula C36H33N3O4S and molecular weight 603.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenylethenyl]-1-methyl-2-phenylpyrazol-3-one;4-methylbenzenesulfonate
Also Known As: Quinolinium, 1-methyl-6-(p-(1-methyl-6-quinoliniocarbamoyl)phenoxyacetamido)-, ditosylate, Quinolinium, 1-methyl-6-(alpha-((1-methylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate, 1-Methyl-6-(p-(1-methyl-6-quinoliniocarbamoyl)phenoxyacetamido)quinolinium ditosylate, 4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenylethenyl]-1-methyl-2-phenylpyrazol-3-one; 4-methylbenzenesulfonate, RefChem:1097900
| Molecular Formula | C36H33N3O4S |
|---|---|
| Molecular Weight | 603.22 g/mol |
| LogP | 6.12462 |
| Topological Polar Surface Area | 88.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 603.2192 |
| Heavy Atoms | 44 |
| Complexity | 2097.1047 |
Chemical Identifiers
| CAS Number | 34051-87-1 |
|---|---|
| SMILES | CC[N+]1=CC=C(C2=CC=CC=C21)/C(=C\C3=CC=CC=C3)/C4=CN(N(C4=O)C5=CC=CC=C5)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:1097900 (CAS 34051-87-1), with molecular formula C36H33N3O4S and molecular weight 603.22 g/mol. IUPAC: 4-[(E)-1-(1-ethylquinolin-1-ium-4-yl)-2-phenylethenyl]-1-methyl-2-phenylpyrazol-3-one;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:1097900
Property Insights of RefChem:1097900
The XLogP value of 6.12462 indicates that RefChem:1097900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097900. Following Lipinski's Rule of Five, RefChem:1097900 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097900?
The CAS number of RefChem:1097900 is 34051-87-1.
What is the molecular formula of RefChem:1097900?
The molecular formula of RefChem:1097900 is C36H33N3O4S.
What is the molecular weight of RefChem:1097900?
The molecular weight of RefChem:1097900 is 603.22 g/mol.
Where can I buy RefChem:1097900?
You can request a quote for RefChem:1097900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097900?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.