曲司氯铵
TL;DR: 曲司氯铵 (CAS 10405-02-4) is a chemical compound with molecular formula C25H30ClNO3 and molecular weight 427.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲司氯铵
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: trospium chloride, Sanctura, Trospium, Relaspium, Spasmex
| Molecular Formula | C25H30ClNO3 |
|---|---|
| Molecular Weight | 427.19 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1914 |
| Heavy Atoms | 30 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 10405-02-4 |
|---|---|
| SMILES | C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-] |
| InChIKey | RVCSYOQWLPPAOA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲司氯铵 (CAS 10405-02-4), with molecular formula C25H30ClNO3 and molecular weight 427.19 g/mol. IUPAC: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of 曲司氯铵
Property Insights of 曲司氯铵
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 曲司氯铵. With a topological polar surface area (TPSA) of 46.5 Ų, 曲司氯铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曲司氯铵 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 曲司氯铵?
The CAS number of 曲司氯铵 is 10405-02-4.
What is the molecular formula of 曲司氯铵?
The molecular formula of 曲司氯铵 is C25H30ClNO3.
What is the molecular weight of 曲司氯铵?
The molecular weight of 曲司氯铵 is 427.19 g/mol.
Where can I buy 曲司氯铵?
You can request a quote for 曲司氯铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲司氯铵?
Yes, KEHONG BIO provides custom synthesis services for 曲司氯铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.