Troxypyrrolium Tosilate
TL;DR: Troxypyrrolium Tosilate (CAS 3612-98-4) is a chemical compound with molecular formula C25H35NO8S and molecular weight 509.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate;4-methylbenzenesulfonate
Also Known As: Troxypyrrolium tosilate, Troxypyrrole, Troxypyrrolium tosylate, troxopyrrolidinium, Troxypyrrolii tosilas
| Molecular Formula | C25H35NO8S |
|---|---|
| Molecular Weight | 509.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.20834 |
| Heavy Atoms | 35 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 3612-98-4 |
|---|---|
| SMILES | CC[N+]1(CCCC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | JSALPWQBJBMBAG-UHFFFAOYSA-M |
Product Overview
Troxypyrrolium Tosilate (CAS 3612-98-4), with molecular formula C25H35NO8S and molecular weight 509.21 g/mol. IUPAC: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate;4-methylbenzenesulfonate.
Chemical Property Profile of Troxypyrrolium Tosilate
Property Insights of Troxypyrrolium Tosilate
The XLogP value of 3.4 indicates that Troxypyrrolium Tosilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Troxypyrrolium Tosilate. Following Lipinski's Rule of Five, Troxypyrrolium Tosilate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Troxypyrrolium Tosilate?
The CAS number of Troxypyrrolium Tosilate is 3612-98-4.
What is the molecular formula of Troxypyrrolium Tosilate?
The molecular formula of Troxypyrrolium Tosilate is C25H35NO8S.
What is the molecular weight of Troxypyrrolium Tosilate?
The molecular weight of Troxypyrrolium Tosilate is 509.21 g/mol.
Where can I buy Troxypyrrolium Tosilate?
You can request a quote for Troxypyrrolium Tosilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Troxypyrrolium Tosilate?
Yes, KEHONG BIO provides custom synthesis services for Troxypyrrolium Tosilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.