Ipratropii bromidum
TL;DR: Ipratropii bromidum (CAS 58073-59-9) is a chemical compound with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
Also Known As: ipratropium bromide, Atrovent, Aerovent, Apovent, Ipratropii bromidum
| Molecular Formula | C20H30BrNO3 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1409 |
| Heavy Atoms | 25 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 58073-59-9 |
|---|---|
| SMILES | CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
| InChIKey | LHLMOSXCXGLMMN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ipratropii bromidum (CAS 58073-59-9), with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol. IUPAC: (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Ipratropii bromidum
Property Insights of Ipratropii bromidum
The XLogP value of -0.14 indicates that Ipratropii bromidum is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Ipratropii bromidum exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ipratropii bromidum 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 Ipratropii bromidum?
The CAS number of Ipratropii bromidum is 58073-59-9.
What is the molecular formula of Ipratropii bromidum?
The molecular formula of Ipratropii bromidum is C20H30BrNO3.
What is the molecular weight of Ipratropii bromidum?
The molecular weight of Ipratropii bromidum is 411.14 g/mol.
Where can I buy Ipratropii bromidum?
You can request a quote for Ipratropii bromidum directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipratropii bromidum?
Yes, KEHONG BIO provides custom synthesis services for Ipratropii bromidum and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.