4-Bromo-1-chloroisoquinoline
TL;DR: 4-Bromo-1-chloroisoquinoline (CAS 66728-98-1) is a chemical compound with molecular formula C9H5BrClN and molecular weight 240.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-chloroisoquinoline
Also Known As: 4-Bromo-1-chloroisoquinoline, 4-bromo-1-chloro-isoquinoline, null, 1-chloro-4-bromoisoquinoline, 4-Brom-1-chlorisochinolin
| Molecular Formula | C9H5BrClN |
|---|---|
| Molecular Weight | 240.93 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.9294 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 66728-98-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=C2Cl)Br |
| InChIKey | HRWILRGBDZGABZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-chloroisoquinoline (CAS 66728-98-1), with molecular formula C9H5BrClN and molecular weight 240.93 g/mol. IUPAC: 4-bromo-1-chloroisoquinoline.
Chemical Property Profile of 4-Bromo-1-chloroisoquinoline
Property Insights of 4-Bromo-1-chloroisoquinoline
The XLogP value of 3.8 indicates that 4-Bromo-1-chloroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Bromo-1-chloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-chloroisoquinoline has 0 hydrogen bond donor(s) and 1 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 4-Bromo-1-chloroisoquinoline?
The CAS number of 4-Bromo-1-chloroisoquinoline is 66728-98-1.
What is the molecular formula of 4-Bromo-1-chloroisoquinoline?
The molecular formula of 4-Bromo-1-chloroisoquinoline is C9H5BrClN.
What is the molecular weight of 4-Bromo-1-chloroisoquinoline?
The molecular weight of 4-Bromo-1-chloroisoquinoline is 240.93 g/mol.
Where can I buy 4-Bromo-1-chloroisoquinoline?
You can request a quote for 4-Bromo-1-chloroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-chloroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-chloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.