N-(1-bromoisoquinolin-3-yl)acetamide
TL;DR: N-(1-bromoisoquinolin-3-yl)acetamide (CAS 91062-66-7) is a chemical compound with molecular formula C11H9BrN2O and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-bromoisoquinolin-3-yl)acetamide
Also Known As: N-(1-bromoisoquinolin-3-yl)acetamide, 3-Acetamino-1-brom-isochinolin, N-(1-Bromo-isoquinolin-3-yl)-acetamide, Acetamide, N-(1-bromo-3-isoquinolinyl)-
| Molecular Formula | C11H9BrN2O |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.98984 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 91062-66-7 |
|---|---|
| SMILES | CC(=O)NC1=CC2=CC=CC=C2C(=N1)Br |
| InChIKey | BURHGGPVXWDDHT-UHFFFAOYSA-N |
Product Overview
N-(1-bromoisoquinolin-3-yl)acetamide (CAS 91062-66-7), with molecular formula C11H9BrN2O and molecular weight 263.99 g/mol. IUPAC: N-(1-bromoisoquinolin-3-yl)acetamide.
Chemical Property Profile of N-(1-bromoisoquinolin-3-yl)acetamide
Property Insights of N-(1-bromoisoquinolin-3-yl)acetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-bromoisoquinolin-3-yl)acetamide. With a topological polar surface area (TPSA) of 42.0 Ų, N-(1-bromoisoquinolin-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-bromoisoquinolin-3-yl)acetamide 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-(1-bromoisoquinolin-3-yl)acetamide?
The CAS number of N-(1-bromoisoquinolin-3-yl)acetamide is 91062-66-7.
What is the molecular formula of N-(1-bromoisoquinolin-3-yl)acetamide?
The molecular formula of N-(1-bromoisoquinolin-3-yl)acetamide is C11H9BrN2O.
What is the molecular weight of N-(1-bromoisoquinolin-3-yl)acetamide?
The molecular weight of N-(1-bromoisoquinolin-3-yl)acetamide is 263.99 g/mol.
Where can I buy N-(1-bromoisoquinolin-3-yl)acetamide?
You can request a quote for N-(1-bromoisoquinolin-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-bromoisoquinolin-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-bromoisoquinolin-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.