5,7,8-Tribromoisoquinoline
TL;DR: 5,7,8-Tribromoisoquinoline (CAS 81045-40-1) is a chemical compound with molecular formula C9H4Br3N and molecular weight 362.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,8-tribromoisoquinoline
Also Known As: 5,7,8-tribromoisoquinoline, 5,7,8-tribromo-isoquinoline, Isoquinoline, 5,7,8-tribromo-, AN-329/41104307, RefChem:298770
| Molecular Formula | C9H4Br3N |
|---|---|
| Molecular Weight | 362.79 g/mol |
| LogP | 4.5223 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 362.7894 |
| Heavy Atoms | 13 |
| Complexity | 467.61163 |
Chemical Identifiers
| CAS Number | 81045-40-1 |
|---|---|
| SMILES | C1=CN=CC2=C1C(=CC(=C2Br)Br)Br |
Product Overview
5,7,8-Tribromoisoquinoline (CAS 81045-40-1), with molecular formula C9H4Br3N and molecular weight 362.79 g/mol. IUPAC: 5,7,8-tribromoisoquinoline.
Chemical Property Profile of 5,7,8-Tribromoisoquinoline
Property Insights of 5,7,8-Tribromoisoquinoline
The XLogP value of 4.5223 indicates that 5,7,8-Tribromoisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 5,7,8-Tribromoisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,8-Tribromoisoquinoline 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 5,7,8-Tribromoisoquinoline?
The CAS number of 5,7,8-Tribromoisoquinoline is 81045-40-1.
What is the molecular formula of 5,7,8-Tribromoisoquinoline?
The molecular formula of 5,7,8-Tribromoisoquinoline is C9H4Br3N.
What is the molecular weight of 5,7,8-Tribromoisoquinoline?
The molecular weight of 5,7,8-Tribromoisoquinoline is 362.79 g/mol.
Where can I buy 5,7,8-Tribromoisoquinoline?
You can request a quote for 5,7,8-Tribromoisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,8-Tribromoisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5,7,8-Tribromoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.