EINECS 213-882-9
TL;DR: EINECS 213-882-9 (CAS 1049-38-3) is a chemical compound with molecular formula C21H21IN2Se2 and molecular weight 587.908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole iodide
Also Known As: EINECS 213-882-9, 3,3'-DIETHYLSELENACARBOCYANINE IODIDE, 3-Ethyl-2-(3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl)benzoselenazolium iodide, (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;iodide, (2E)-3-Ethyl-2-[(E)-3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;iodide
Technical Specifications
| Molecular Formula | C21H21IN2Se2 |
| Molecular Weight | 587.908 g/mol |
| XLogP | -0.0676 |
| Topological Polar Surface Area (TPSA) | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 587.908 Da |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
| SMILES | CCN\1C2=CC=CC=C2[Se]/C1=C\C=C\C3=[N+](C4=CC=CC=C4[Se]3)CC.[I-] |
| InChIKey | DKIUNHZPZZAPAW-UHFFFAOYSA-M |
Chemical Property Profile of EINECS 213-882-9
Property Insights of EINECS 213-882-9
The XLogP value of -0.0676 indicates that EINECS 213-882-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.1 Ų, EINECS 213-882-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 213-882-9 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 213-882-9?
The CAS number of EINECS 213-882-9 is 1049-38-3.
What is the molecular formula of EINECS 213-882-9?
The molecular formula of EINECS 213-882-9 is C21H21IN2Se2.
What is the molecular weight of EINECS 213-882-9?
The molecular weight of EINECS 213-882-9 is 587.908 g/mol.
Where can I buy EINECS 213-882-9?
You can request a quote for EINECS 213-882-9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 213-882-9?
Yes, CoreyChem provides custom synthesis services for EINECS 213-882-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.