Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)
TL;DR: Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) (CAS 35674-56-7) is a chemical compound with molecular formula C16H14ClN and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylisoquinolin-2-ium chloride
Also Known As: 2-Benzylisoquinolinium chloride, 2-benzylisoquinolin-2-ium chloride, 2-benzylisoquinolin-2-ium;chloride, 2-benzylisoquinoliniumchloride, Isoquinolinium, 2-(phenylmethyl)-, chloride
| Molecular Formula | C16H14ClN |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.08148 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 35674-56-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-] |
| InChIKey | RFBYOCFNLRHJGJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) (CAS 35674-56-7), with molecular formula C16H14ClN and molecular weight 255.08 g/mol. IUPAC: 2-benzylisoquinolin-2-ium chloride.
Chemical Property Profile of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)
Property Insights of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1). With a topological polar surface area (TPSA) of 3.9 Ų, Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) has 0 hydrogen bond donor(s) and 1 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-(phenylmethyl)-, chloride (1:1)?
The CAS number of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) is 35674-56-7.
What is the molecular formula of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)?
The molecular formula of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) is C16H14ClN.
What is the molecular weight of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)?
The molecular weight of Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) is 255.08 g/mol.
Where can I buy Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)?
You can request a quote for Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.