Butopyrammonium Iodide
TL;DR: Butopyrammonium Iodide (CAS 4482-22-8) is a chemical compound with molecular formula C17H26IN3O and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-dimethylazanium iodide
Also Known As: Butopyrammonium iodide, Ioduro de butopiramonio, Butopyrammonil iodidum, Butopyrammoniumjodid, Iodure de butopyrammonium
| Molecular Formula | C17H26IN3O |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | -0.14458 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.11206 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 4482-22-8 |
|---|---|
| SMILES | CCCC[N+](C)(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C.[I-] |
| InChIKey | SZHRRALHWUGUQA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butopyrammonium Iodide (CAS 4482-22-8), with molecular formula C17H26IN3O and molecular weight 415.11 g/mol. IUPAC: butyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-dimethylazanium iodide.
Chemical Property Profile of Butopyrammonium Iodide
Property Insights of Butopyrammonium Iodide
The XLogP value of -0.14458 indicates that Butopyrammonium Iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.6 Ų, Butopyrammonium Iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butopyrammonium Iodide 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 Butopyrammonium Iodide?
The CAS number of Butopyrammonium Iodide is 4482-22-8.
What is the molecular formula of Butopyrammonium Iodide?
The molecular formula of Butopyrammonium Iodide is C17H26IN3O.
What is the molecular weight of Butopyrammonium Iodide?
The molecular weight of Butopyrammonium Iodide is 415.11 g/mol.
Where can I buy Butopyrammonium Iodide?
You can request a quote for Butopyrammonium Iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butopyrammonium Iodide?
Yes, KEHONG BIO provides custom synthesis services for Butopyrammonium Iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.