異丙托溴銨
TL;DR: 異丙托溴銨 (CAS 24358-20-1) 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.
異丙托溴銨
[(1S,5R)-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, Itrop, Ipratropiumbromid, Atrovent Hfa
| Molecular Formula | C20H30BrNO3 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | -0.1419 |
| 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 | 24358-20-1 |
|---|---|
| SMILES | CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
| InChIKey | LHLMOSXCXGLMMN-CLTUNHJMSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異丙托溴銨 (CAS 24358-20-1), with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol. IUPAC: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of 異丙托溴銨
Property Insights of 異丙托溴銨
The XLogP value of -0.1419 indicates that 異丙托溴銨 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, 異丙托溴銨 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異丙托溴銨 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 異丙托溴銨?
The CAS number of 異丙托溴銨 is 24358-20-1.
What is the molecular formula of 異丙托溴銨?
The molecular formula of 異丙托溴銨 is C20H30BrNO3.
What is the molecular weight of 異丙托溴銨?
The molecular weight of 異丙托溴銨 is 411.14 g/mol.
Where can I buy 異丙托溴銨?
You can request a quote for 異丙托溴銨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異丙托溴銨?
Yes, KEHONG BIO provides custom synthesis services for 異丙托溴銨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.