1,4-Dibromoisoquinoline
TL;DR: 1,4-Dibromoisoquinoline (CAS 51206-74-7) is a chemical compound with molecular formula C9H5Br2N and molecular weight 284.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibromoisoquinoline
Also Known As: 1,4-dibromoisoquinoline, isoquinoline, 1,4-dibromo-, 2-Mercaptobenzothiazole, 1,4-DIBROMO-ISOQUINOLINE, 3-ETHOXY-4-HYDROXYBENZYLAMINE
| Molecular Formula | C9H5Br2N |
|---|---|
| Molecular Weight | 284.88 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 | 284.87888 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 51206-74-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=C2Br)Br |
| InChIKey | KXAHDPKQOFASEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibromoisoquinoline (CAS 51206-74-7), with molecular formula C9H5Br2N and molecular weight 284.88 g/mol. IUPAC: 1,4-dibromoisoquinoline.
Chemical Property Profile of 1,4-Dibromoisoquinoline
Property Insights of 1,4-Dibromoisoquinoline
The XLogP value of 3.8 indicates that 1,4-Dibromoisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 1,4-Dibromoisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibromoisoquinoline 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 1,4-Dibromoisoquinoline?
The CAS number of 1,4-Dibromoisoquinoline is 51206-74-7.
What is the molecular formula of 1,4-Dibromoisoquinoline?
The molecular formula of 1,4-Dibromoisoquinoline is C9H5Br2N.
What is the molecular weight of 1,4-Dibromoisoquinoline?
The molecular weight of 1,4-Dibromoisoquinoline is 284.88 g/mol.
Where can I buy 1,4-Dibromoisoquinoline?
You can request a quote for 1,4-Dibromoisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibromoisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibromoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.