Isoquinolinium, 5-nitro-2-(phenylmethyl)-
TL;DR: Isoquinolinium, 5-nitro-2-(phenylmethyl)- (CAS 52166-52-6) is a chemical compound with molecular formula C16H13N2O2+ and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-nitroisoquinolin-2-ium
Also Known As: 2-benzyl-5-nitroisoquinolin-2-ium, 2-Benzyl-5-nitroisoquinolinium, Isoquinolinium, 5-nitro-2-(phenylmethyl)-, Isoquinolinium,5-nitro-2-(phenylmethyl), J1.047.554F
| Molecular Formula | C16H13N2O2+ |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.09772 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 52166-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-] |
| InChIKey | VAZPDZMZUJEZME-UHFFFAOYSA-N |
Product Overview
Isoquinolinium, 5-nitro-2-(phenylmethyl)- (CAS 52166-52-6), with molecular formula C16H13N2O2+ and molecular weight 265.10 g/mol. IUPAC: 2-benzyl-5-nitroisoquinolin-2-ium.
Chemical Property Profile of Isoquinolinium, 5-nitro-2-(phenylmethyl)-
Property Insights of Isoquinolinium, 5-nitro-2-(phenylmethyl)-
The XLogP value of 3.7 indicates that Isoquinolinium, 5-nitro-2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Isoquinolinium, 5-nitro-2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 5-nitro-2-(phenylmethyl)- has 0 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, 5-nitro-2-(phenylmethyl)-?
The CAS number of Isoquinolinium, 5-nitro-2-(phenylmethyl)- is 52166-52-6.
What is the molecular formula of Isoquinolinium, 5-nitro-2-(phenylmethyl)-?
The molecular formula of Isoquinolinium, 5-nitro-2-(phenylmethyl)- is C16H13N2O2+.
What is the molecular weight of Isoquinolinium, 5-nitro-2-(phenylmethyl)-?
The molecular weight of Isoquinolinium, 5-nitro-2-(phenylmethyl)- is 265.10 g/mol.
Where can I buy Isoquinolinium, 5-nitro-2-(phenylmethyl)-?
You can request a quote for Isoquinolinium, 5-nitro-2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 5-nitro-2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 5-nitro-2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.