Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride
TL;DR: Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride (CAS 33860-81-0) is a chemical compound with molecular formula C17H15ClN2O and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(2-isoquinolin-2-ium-2-yl-1-phenylethylidene)hydroxylamine chloride
Also Known As: 1-Phenacyloxime isoquinolinium chloride, 2-(2-(Hydroxyimino)-2-phenylethyl)isoquinolinium chloride, 2-(2-(Hydroxyimino)-2-phenylethyl)isoquinolin-2-ium chloride, ISOQUINOLINIUM, 2-(2-(HYDROXYIMINO)-2-PHENYLETHYL)-, CHLORIDE, RefChem:1087795
| Molecular Formula | C17H15ClN2O |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 0.0098 |
| Topological Polar Surface Area | 36.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08728 |
| Heavy Atoms | 21 |
| Complexity | 756.84467 |
Chemical Identifiers
| CAS Number | 33860-81-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=N\O)/C[N+]2=CC3=CC=CC=C3C=C2.[Cl-] |
Product Overview
Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride (CAS 33860-81-0), with molecular formula C17H15ClN2O and molecular weight 298.09 g/mol. IUPAC: (NE)-N-(2-isoquinolin-2-ium-2-yl-1-phenylethylidene)hydroxylamine chloride.
Chemical Property Profile of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride
Property Insights of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride
The XLogP value of 0.0098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride. With a topological polar surface area (TPSA) of 36.47 Ų, Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride has 1 hydrogen bond donor(s) and 2 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 Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride?
The CAS number of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride is 33860-81-0.
What is the molecular formula of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride?
The molecular formula of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride is C17H15ClN2O.
What is the molecular weight of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride?
The molecular weight of Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride is 298.09 g/mol.
Where can I buy Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride?
You can request a quote for Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.