氟托溴铵
TL;DR: 氟托溴铵 (CAS 63516-10-9) is a chemical compound with molecular formula C24H29BrFNO3 and molecular weight 477.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟托溴铵
[(1S,5R)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: flutropium bromide, Flubron, Flutropii bromidum, Bronchospasmolytic agent 1, Bromuro de flutropio
| Molecular Formula | C24H29BrFNO3 |
|---|---|
| Molecular Weight | 477.13 g/mol |
| LogP | 0.5792 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.13147 |
| Heavy Atoms | 30 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 63516-10-9 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCF.[Br-] |
| InChIKey | FNUZASGZEHGWQM-QCERWEEGSA-M |
Product Overview
氟托溴铵 (CAS 63516-10-9), with molecular formula C24H29BrFNO3 and molecular weight 477.13 g/mol. IUPAC: [(1S,5R)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of 氟托溴铵
Property Insights of 氟托溴铵
The XLogP value of 0.5792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟托溴铵. With a topological polar surface area (TPSA) of 46.5 Ų, 氟托溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟托溴铵 has 1 hydrogen bond donor(s) and 5 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 氟托溴铵?
The CAS number of 氟托溴铵 is 63516-10-9.
What is the molecular formula of 氟托溴铵?
The molecular formula of 氟托溴铵 is C24H29BrFNO3.
What is the molecular weight of 氟托溴铵?
The molecular weight of 氟托溴铵 is 477.13 g/mol.
Where can I buy 氟托溴铵?
You can request a quote for 氟托溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟托溴铵?
Yes, KEHONG BIO provides custom synthesis services for 氟托溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.