Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-
TL;DR: Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- (CAS 142575-15-3) is a chemical compound with molecular formula C28H46I2N2O and molecular weight 680.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium diiodide
Also Known As: Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-, trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium;diiodide, (8xi,9xi,14xi)-N,N,N-Trimethyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]estra-1(10),2,4-trien-17beta-aminium diiodide, N,N,N-Trimethyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]estra-1(10),2,4-trien-17-aminium diiodide, trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium diiodide
| Molecular Formula | C28H46I2N2O |
|---|---|
| Molecular Weight | 680.17 g/mol |
| LogP | -0.7553 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 680.17 |
| Heavy Atoms | 33 |
| Complexity | 816.60565 |
Chemical Identifiers
| CAS Number | 142575-15-3 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CC[C@@H]2[N+](C)(C)C)CCC4=C3C=CC(=C4)OCC[N+]5(CCCC5)C.[I-].[I-] |
Product Overview
Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- (CAS 142575-15-3), with molecular formula C28H46I2N2O and molecular weight 680.17 g/mol. IUPAC: trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium diiodide.
Chemical Property Profile of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-
Property Insights of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-
The XLogP value of -0.7553 indicates that Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.23 Ų, Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-?
The CAS number of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- is 142575-15-3.
What is the molecular formula of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-?
The molecular formula of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- is C28H46I2N2O.
What is the molecular weight of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-?
The molecular weight of Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- is 680.17 g/mol.
Where can I buy Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-?
You can request a quote for Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 1-methyl-1-(2-(((17-beta)-17-(trimethylammonia)estra-1,3,5-trien-3-yl)oxy)ethyl)-, diiodide, (17-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.