1-Bromoisoquinolin-3-amine
TL;DR: 1-Bromoisoquinolin-3-amine (CAS 13148-78-2) is a chemical compound with molecular formula C9H7BrN2 and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromoisoquinolin-3-amine
Also Known As: 1-bromoisoquinolin-3-amine, 3-Amino-1-bromoisoquinoline, 3-isoquinolinamine, 1-bromo-, 1-bromoisoquinolin-3-ylamine, 1-Bromo-3-isoquinolinamine
| Molecular Formula | C9H7BrN2 |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.97926 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 13148-78-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N=C2Br)N |
| InChIKey | PSQUIUNIVDKHJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromoisoquinolin-3-amine (CAS 13148-78-2), with molecular formula C9H7BrN2 and molecular weight 221.98 g/mol. IUPAC: 1-bromoisoquinolin-3-amine.
Chemical Property Profile of 1-Bromoisoquinolin-3-amine
Property Insights of 1-Bromoisoquinolin-3-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromoisoquinolin-3-amine. With a topological polar surface area (TPSA) of 38.9 Ų, 1-Bromoisoquinolin-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromoisoquinolin-3-amine 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 1-Bromoisoquinolin-3-amine?
The CAS number of 1-Bromoisoquinolin-3-amine is 13148-78-2.
What is the molecular formula of 1-Bromoisoquinolin-3-amine?
The molecular formula of 1-Bromoisoquinolin-3-amine is C9H7BrN2.
What is the molecular weight of 1-Bromoisoquinolin-3-amine?
The molecular weight of 1-Bromoisoquinolin-3-amine is 221.98 g/mol.
Where can I buy 1-Bromoisoquinolin-3-amine?
You can request a quote for 1-Bromoisoquinolin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromoisoquinolin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromoisoquinolin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.