1-Bromo-4-(4-nitrophenyl)isoquinoline
TL;DR: 1-Bromo-4-(4-nitrophenyl)isoquinoline (CAS 64345-81-9) is a chemical compound with molecular formula C15H9BrN2O2 and molecular weight 327.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(4-nitrophenyl)isoquinoline
Also Known As: 1-bromo-4-(4-nitrophenyl)isoquinoline, Isoquinoline,1-bromo-4-(4-nitrophenyl)-, RefChem:228569
| Molecular Formula | C15H9BrN2O2 |
|---|---|
| Molecular Weight | 327.98 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.98474 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 64345-81-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=C2Br)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | HXWQNGBEFCGILD-UHFFFAOYSA-N |
Product Overview
1-Bromo-4-(4-nitrophenyl)isoquinoline (CAS 64345-81-9), with molecular formula C15H9BrN2O2 and molecular weight 327.98 g/mol. IUPAC: 1-bromo-4-(4-nitrophenyl)isoquinoline.
Chemical Property Profile of 1-Bromo-4-(4-nitrophenyl)isoquinoline
Property Insights of 1-Bromo-4-(4-nitrophenyl)isoquinoline
The XLogP value of 4.6 indicates that 1-Bromo-4-(4-nitrophenyl)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.7 Ų, 1-Bromo-4-(4-nitrophenyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(4-nitrophenyl)isoquinoline has 0 hydrogen bond donor(s) and 3 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-Bromo-4-(4-nitrophenyl)isoquinoline?
The CAS number of 1-Bromo-4-(4-nitrophenyl)isoquinoline is 64345-81-9.
What is the molecular formula of 1-Bromo-4-(4-nitrophenyl)isoquinoline?
The molecular formula of 1-Bromo-4-(4-nitrophenyl)isoquinoline is C15H9BrN2O2.
What is the molecular weight of 1-Bromo-4-(4-nitrophenyl)isoquinoline?
The molecular weight of 1-Bromo-4-(4-nitrophenyl)isoquinoline is 327.98 g/mol.
Where can I buy 1-Bromo-4-(4-nitrophenyl)isoquinoline?
You can request a quote for 1-Bromo-4-(4-nitrophenyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(4-nitrophenyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(4-nitrophenyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.