N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide
TL;DR: N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide (CAS 26389-91-3) is a chemical compound with molecular formula C12H11BrN2O and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-bromo-4-methylisoquinolin-3-yl)acetamide
Also Known As: 3-Acetamido-1-bromo-4-methylisoquinoline, N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide, N-(1-bromo-4-methylisoquinolin-3-yl)acetamide, Acetamide, N-(1-bromo-4-methyl-3-isoquinolinyl)-, N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide #
| Molecular Formula | C12H11BrN2O |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0055 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 26389-91-3 |
|---|---|
| SMILES | CC1=C(N=C(C2=CC=CC=C12)Br)NC(=O)C |
| InChIKey | VGWFQJJCDFIENM-UHFFFAOYSA-N |
Product Overview
N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide (CAS 26389-91-3), with molecular formula C12H11BrN2O and molecular weight 278.01 g/mol. IUPAC: N-(1-bromo-4-methylisoquinolin-3-yl)acetamide.
Chemical Property Profile of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide
Property Insights of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide
The XLogP value of 3.0 indicates that N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Bromo-4-methyl-3-isoquinolinyl)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-Bromo-4-methyl-3-isoquinolinyl)acetamide?
The CAS number of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide is 26389-91-3.
What is the molecular formula of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide?
The molecular formula of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide is C12H11BrN2O.
What is the molecular weight of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide?
The molecular weight of N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide is 278.01 g/mol.
Where can I buy N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide?
You can request a quote for N-(1-Bromo-4-methyl-3-isoquinolinyl)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-Bromo-4-methyl-3-isoquinolinyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Bromo-4-methyl-3-isoquinolinyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.