ipratropium
TL;DR: ipratropium (CAS 60205-81-4) is a chemical compound with molecular formula C20H30NO3+ and molecular weight 332.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ipratropium
(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Also Known As: ipratropium, Atrovent Hfa, ipratropium bromide, Aerovent, Atronase
| Molecular Formula | C20H30NO3+ |
|---|---|
| Molecular Weight | 332.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.22256 |
| Heavy Atoms | 24 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 60205-81-4 |
|---|---|
| SMILES | CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C |
| InChIKey | OEXHQOGQTVQTAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ipratropium (CAS 60205-81-4), with molecular formula C20H30NO3+ and molecular weight 332.22 g/mol. IUPAC: (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of ipratropium
Property Insights of ipratropium
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ipratropium. With a topological polar surface area (TPSA) of 46.5 Ų, ipratropium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ipratropium has 1 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 ipratropium?
The CAS number of ipratropium is 60205-81-4.
What is the molecular formula of ipratropium?
The molecular formula of ipratropium is C20H30NO3+.
What is the molecular weight of ipratropium?
The molecular weight of ipratropium is 332.22 g/mol.
Where can I buy ipratropium?
You can request a quote for ipratropium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ipratropium?
Yes, KEHONG BIO provides custom synthesis services for ipratropium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.