氧托溴铵
TL;DR: 氧托溴铵 (CAS 99571-64-9) is a chemical compound with molecular formula C19H26NO4+ and molecular weight 332.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氧托溴铵
[(1R,2R,4S,5S)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: Oxitropium, Oxytropium, oxitropium iodide, oxitropium bromide, Oxytropium bromide
| Molecular Formula | C19H26NO4+ |
|---|---|
| Molecular Weight | 332.19 g/mol |
| LogP | 1.4528 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.1862 |
| Heavy Atoms | 24 |
| Complexity | 601.0526 |
Chemical Identifiers
| CAS Number | 99571-64-9 |
|---|---|
| SMILES | CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C |
Product Overview
氧托溴铵 (CAS 99571-64-9), with molecular formula C19H26NO4+ and molecular weight 332.19 g/mol. IUPAC: [(1R,2R,4S,5S)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 氧托溴铵
Property Insights of 氧托溴铵
The XLogP value of 1.4528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氧托溴铵. With a topological polar surface area (TPSA) of 59.06 Ų, 氧托溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氧托溴铵 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 氧托溴铵?
The CAS number of 氧托溴铵 is 99571-64-9.
What is the molecular formula of 氧托溴铵?
The molecular formula of 氧托溴铵 is C19H26NO4+.
What is the molecular weight of 氧托溴铵?
The molecular weight of 氧托溴铵 is 332.19 g/mol.
Where can I buy 氧托溴铵?
You can request a quote for 氧托溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氧托溴铵?
Yes, KEHONG BIO provides custom synthesis services for 氧托溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.