Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate
TL;DR: Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate (CAS 102751-39-3) is a chemical compound with molecular formula C22H22N4O9S2 and molecular weight 550.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium;2,4,6-trinitrophenolate
Also Known As: 2-(Dimethylaminomethyl)-3,3-di-2-thienylacrylic acid ethyl ester picrate, ACRYLIC ACID, 2-(DIMETHYLAMINOMETHYL)-3,3-DI-2-THIENYL-, ETHYL ESTER, PICRATE, [2-Ethoxycarbonyl-3,3-di(thiophen-2-yl)prop-2-enyl]-dimethylazanium;2,4,6-trinitrophenolate, 2-(Dimethylaminomethyl)-3,3-di-2-thienylacrylicacidethylesterpicrate, 2-(ethoxycarbonyl)-n,n-dimethyl-3,3-di(thiophen-2-yl)prop-2-en-1-aminium 2,4,6-trinitrophenolate
| Molecular Formula | C22H22N4O9S2 |
|---|---|
| Molecular Weight | 550.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.0828 |
| Heavy Atoms | 37 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 102751-39-3 |
|---|---|
| SMILES | CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)C[NH+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YLDASBGFJKIZPR-UHFFFAOYSA-N |
Product Overview
Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate (CAS 102751-39-3), with molecular formula C22H22N4O9S2 and molecular weight 550.08 g/mol. IUPAC: (2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium;2,4,6-trinitrophenolate.
Chemical Property Profile of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate
Property Insights of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate. The TPSA of 248.0 Ų indicates high polarity, suggesting Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate?
The CAS number of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate is 102751-39-3.
What is the molecular formula of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate?
The molecular formula of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate is C22H22N4O9S2.
What is the molecular weight of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate?
The molecular weight of Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate is 550.08 g/mol.
Where can I buy Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate?
You can request a quote for Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate?
Yes, KEHONG BIO provides custom synthesis services for Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.