4-Bromo-5,8-dichloroisoquinoline
TL;DR: 4-Bromo-5,8-dichloroisoquinoline (CAS 500359-66-0) is a chemical compound with molecular formula C9H4BrCl2N and molecular weight 274.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5,8-dichloroisoquinoline
Also Known As: 4-bromo-5,8-dichloroisoquinoline
| Molecular Formula | C9H4BrCl2N |
|---|---|
| Molecular Weight | 274.89 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.8904 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 500359-66-0 |
|---|---|
| SMILES | C1=CC(=C2C(=CN=CC2=C1Cl)Br)Cl |
| InChIKey | BTUQFKXGQMNQAO-UHFFFAOYSA-N |
Product Overview
4-Bromo-5,8-dichloroisoquinoline (CAS 500359-66-0), with molecular formula C9H4BrCl2N and molecular weight 274.89 g/mol. IUPAC: 4-bromo-5,8-dichloroisoquinoline.
Chemical Property Profile of 4-Bromo-5,8-dichloroisoquinoline
Property Insights of 4-Bromo-5,8-dichloroisoquinoline
The XLogP value of 4.0 indicates that 4-Bromo-5,8-dichloroisoquinoline 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-5,8-dichloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5,8-dichloroisoquinoline 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-5,8-dichloroisoquinoline?
The CAS number of 4-Bromo-5,8-dichloroisoquinoline is 500359-66-0.
What is the molecular formula of 4-Bromo-5,8-dichloroisoquinoline?
The molecular formula of 4-Bromo-5,8-dichloroisoquinoline is C9H4BrCl2N.
What is the molecular weight of 4-Bromo-5,8-dichloroisoquinoline?
The molecular weight of 4-Bromo-5,8-dichloroisoquinoline is 274.89 g/mol.
Where can I buy 4-Bromo-5,8-dichloroisoquinoline?
You can request a quote for 4-Bromo-5,8-dichloroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5,8-dichloroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5,8-dichloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.