Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride
TL;DR: Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride (CAS 76326-96-0) is a chemical compound with molecular formula C16H12Cl2N2O and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-isoquinolin-2-ium-2-ylbenzamide chloride
Also Known As: 2-((4-Chlorobenzoyl)amino)-isoquinolinium chloride, 4-chloro-N-isoquinolin-2-ium-2-ylbenzamide chloride, ISOQUINOLINIUM, 2-((4-CHLOROBENZOYL)AMINO)-, CHLORIDE, RefChem:1087794
| Molecular Formula | C16H12Cl2N2O |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 0.17 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.03265 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 76326-96-0 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)NC(=O)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | ZHXAQWHTTNNMSB-UHFFFAOYSA-N |
Product Overview
Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride (CAS 76326-96-0), with molecular formula C16H12Cl2N2O and molecular weight 318.03 g/mol. IUPAC: 4-chloro-N-isoquinolin-2-ium-2-ylbenzamide chloride.
Chemical Property Profile of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride
Property Insights of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride
The XLogP value of 0.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride. With a topological polar surface area (TPSA) of 33.0 Ų, Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, 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-((4-chlorobenzoyl)amino)-, chloride?
The CAS number of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride is 76326-96-0.
What is the molecular formula of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride?
The molecular formula of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride is C16H12Cl2N2O.
What is the molecular weight of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride?
The molecular weight of Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride is 318.03 g/mol.
Where can I buy Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride?
You can request a quote for Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, 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-((4-chlorobenzoyl)amino)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.