2-(3-异喹啉基)二溴化肟鎓
TL;DR: 2-(3-异喹啉基)二溴化肟鎓 (CAS 78186-39-7) is a chemical compound with molecular formula C18H19Br2N3O and molecular weight 450.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-异喹啉基)二溴化肟鎓
N-[[1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide
Also Known As: 2-(3- isoquinoliumdibromideoxime
| Molecular Formula | C18H19Br2N3O |
|---|---|
| Molecular Weight | 450.99 g/mol |
| LogP | -3.68 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.98743 |
| Heavy Atoms | 24 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 78186-39-7 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CCC[N+]3=CC=C(C=C3)C=NO.[Br-].[Br-] |
| InChIKey | BSNGBYAHPJSCMA-UHFFFAOYSA-M |
Product Overview
2-(3-异喹啉基)二溴化肟鎓 (CAS 78186-39-7), with molecular formula C18H19Br2N3O and molecular weight 450.99 g/mol. IUPAC: N-[[1-(3-isoquinolin-2-ium-2-ylpropyl)pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide.
Chemical Property Profile of 2-(3-异喹啉基)二溴化肟鎓
Property Insights of 2-(3-异喹啉基)二溴化肟鎓
The XLogP value of -3.68 indicates that 2-(3-异喹啉基)二溴化肟鎓 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.4 Ų, 2-(3-异喹啉基)二溴化肟鎓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-异喹啉基)二溴化肟鎓 has 1 hydrogen bond donor(s) and 4 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 2-(3-异喹啉基)二溴化肟鎓?
The CAS number of 2-(3-异喹啉基)二溴化肟鎓 is 78186-39-7.
What is the molecular formula of 2-(3-异喹啉基)二溴化肟鎓?
The molecular formula of 2-(3-异喹啉基)二溴化肟鎓 is C18H19Br2N3O.
What is the molecular weight of 2-(3-异喹啉基)二溴化肟鎓?
The molecular weight of 2-(3-异喹啉基)二溴化肟鎓 is 450.99 g/mol.
Where can I buy 2-(3-异喹啉基)二溴化肟鎓?
You can request a quote for 2-(3-异喹啉基)二溴化肟鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-异喹啉基)二溴化肟鎓?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-异喹啉基)二溴化肟鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.