N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)
TL;DR: N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) (CAS 31382-97-5) is a chemical compound with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-isoquinolin-2-ium-2-ylbenzamide chloride
Also Known As: N-Benzoyl-imino-isoquinoline, 2-(Benzoylamino)-isoquinolinium chloride, 2-(benzoylamino)isoquinolinium chloride, N-isoquinolin-2-ium-2-ylbenzamide chloride, ISOQUINOLINIUM, 2-(BENZOYLAMINO)-, CHLORIDE
| Molecular Formula | C16H13ClN2O |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07166 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 31382-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N[N+]2=CC3=CC=CC=C3C=C2.[Cl-] |
| InChIKey | HOKZMRKYWOJKQC-UHFFFAOYSA-N |
Product Overview
N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) (CAS 31382-97-5), with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol. IUPAC: N-isoquinolin-2-ium-2-ylbenzamide chloride.
Chemical Property Profile of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)
Property Insights of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)
The XLogP value of -0.48 indicates that N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.0 Ų, N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) 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 N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)?
The CAS number of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) is 31382-97-5.
What is the molecular formula of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)?
The molecular formula of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) is C16H13ClN2O.
What is the molecular weight of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)?
The molecular weight of N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) is 284.07 g/mol.
Where can I buy N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)?
You can request a quote for N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen 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 N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.