Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-
TL;DR: Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- (CAS 142575-14-2) is a chemical compound with molecular formula C28H48I2N2O and molecular weight 682.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[[(8R,9S,13S,14S,17S)-13-methyl-17-(trimethylazaniumyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl]azanium diiodide
Also Known As: Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-, 3-{2-[Diethyl(methyl)azaniumyl]ethoxy}-N,N,N-trimethylestra-1(10),2,4-trien-17-aminium diiodide, 3-{2-[Diethyl(methyl)azaniumyl]ethoxy}-N,N,N-trimethylestra-1(10),2,4-trien-17beta-aminium diiodide, diethyl-methyl-[2-[[(8R,9S,13S,14S,17S)-13-methyl-17-(trimethylazaniumyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl]azanium diiodide, RefChem:339752
| Molecular Formula | C28H48I2N2O |
|---|---|
| Molecular Weight | 682.19 g/mol |
| LogP | -0.5093 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 682.1856 |
| Heavy Atoms | 33 |
| Complexity | 788.59235 |
Chemical Identifiers
| CAS Number | 142575-14-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4[N+](C)(C)C)C.[I-].[I-] |
Product Overview
Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- (CAS 142575-14-2), with molecular formula C28H48I2N2O and molecular weight 682.19 g/mol. IUPAC: diethyl-methyl-[2-[[(8R,9S,13S,14S,17S)-13-methyl-17-(trimethylazaniumyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl]azanium diiodide.
Chemical Property Profile of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-
Property Insights of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-
The XLogP value of -0.5093 indicates that Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, 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, Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, 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 Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-?
The CAS number of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- is 142575-14-2.
What is the molecular formula of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-?
The molecular formula of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- is C28H48I2N2O.
What is the molecular weight of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-?
The molecular weight of Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- is 682.19 g/mol.
Where can I buy Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-?
You can request a quote for Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, 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 Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-trien-17-aminium, 3-(2-(diethylmethylammonio)ethoxy)-N,N,N-trimethyl-, diiodide, (17-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.