Sultroponium
TL;DR: Sultroponium (CAS 15130-91-3) is a chemical compound with molecular formula C20H29NO6S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-hydroxy-2-phenylpropanoyl)oxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]propane-1-sulfonate
Also Known As: Sultroponium, Sultroponio, Sultroponum, Sultroponium [DCF:INN], Sultroponium [INN:DCF]
| Molecular Formula | C20H29NO6S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.17157 |
| Heavy Atoms | 28 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 15130-91-3 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CCCS(=O)(=O)[O-] |
| InChIKey | PIWAVOGXKRZQCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sultroponium (CAS 15130-91-3), with molecular formula C20H29NO6S and molecular weight 411.17 g/mol. IUPAC: 3-[3-(3-hydroxy-2-phenylpropanoyl)oxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]propane-1-sulfonate.
Chemical Property Profile of Sultroponium
Property Insights of Sultroponium
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sultroponium. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sultroponium. Following Lipinski's Rule of Five, Sultroponium has 1 hydrogen bond donor(s) and 6 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 Sultroponium?
The CAS number of Sultroponium is 15130-91-3.
What is the molecular formula of Sultroponium?
The molecular formula of Sultroponium is C20H29NO6S.
What is the molecular weight of Sultroponium?
The molecular weight of Sultroponium is 411.17 g/mol.
Where can I buy Sultroponium?
You can request a quote for Sultroponium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sultroponium?
Yes, KEHONG BIO provides custom synthesis services for Sultroponium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.