1-Acetamido-4-cyano-3-methylisoquinoline
TL;DR: 1-Acetamido-4-cyano-3-methylisoquinoline (CAS 179985-52-5) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyano-3-methylisoquinolin-1-yl)acetamide
Also Known As: PKA-IN-1, 1-ACETAMIDO-4-CYANO-3-METHYLISOQUINOLINE, N-(4-cyano-3-methylisoquinolin-1-yl)acetamide, 1-Acetamido-3-methyl-4-cyanosoqinoline, 1-Acetamido-3-methyl-4-cyanosoquinoline
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.3733 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 640.89 |
Chemical Identifiers
| CAS Number | 179985-52-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=N1)NC(=O)C)C#N |
Product Overview
1-Acetamido-4-cyano-3-methylisoquinoline (CAS 179985-52-5), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: N-(4-cyano-3-methylisoquinolin-1-yl)acetamide.
Chemical Property Profile of 1-Acetamido-4-cyano-3-methylisoquinoline
Property Insights of 1-Acetamido-4-cyano-3-methylisoquinoline
The XLogP value of 2.3733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetamido-4-cyano-3-methylisoquinoline. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetamido-4-cyano-3-methylisoquinoline. Following Lipinski's Rule of Five, 1-Acetamido-4-cyano-3-methylisoquinoline has 1 hydrogen bond donor(s) and 3 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 1-Acetamido-4-cyano-3-methylisoquinoline?
The CAS number of 1-Acetamido-4-cyano-3-methylisoquinoline is 179985-52-5.
What is the molecular formula of 1-Acetamido-4-cyano-3-methylisoquinoline?
The molecular formula of 1-Acetamido-4-cyano-3-methylisoquinoline is C13H11N3O.
What is the molecular weight of 1-Acetamido-4-cyano-3-methylisoquinoline?
The molecular weight of 1-Acetamido-4-cyano-3-methylisoquinoline is 225.09 g/mol.
Where can I buy 1-Acetamido-4-cyano-3-methylisoquinoline?
You can request a quote for 1-Acetamido-4-cyano-3-methylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetamido-4-cyano-3-methylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetamido-4-cyano-3-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.