3,3'-Diethyl-9-methyl-selenocarbocyanine iodide
TL;DR: 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide (CAS 7310-87-4) is a chemical compound with molecular formula C22H23IN2Se2 and molecular weight 601.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole iodide
Also Known As: 3,3'-DIETHYL-9-METHYL-SELENOCARBOCYANINE IODIDE, 3-Ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzoselenazol-3-ium iodide
| Molecular Formula | C22H23IN2Se2 |
|---|---|
| Molecular Weight | 601.92 g/mol |
| LogP | 0.3225 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 601.92365 |
| Heavy Atoms | 27 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 7310-87-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2[Se]C1=CC(=CC3=[N+](C4=CC=CC=C4[Se]3)CC)C.[I-] |
| InChIKey | PEZDYXDCLKSWAD-UHFFFAOYSA-M |
Product Overview
3,3'-Diethyl-9-methyl-selenocarbocyanine iodide (CAS 7310-87-4), with molecular formula C22H23IN2Se2 and molecular weight 601.92 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole iodide.
Chemical Property Profile of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide
Property Insights of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide
The XLogP value of 0.3225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide. With a topological polar surface area (TPSA) of 7.1 Ų, 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide?
The CAS number of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide is 7310-87-4.
What is the molecular formula of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide?
The molecular formula of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide is C22H23IN2Se2.
What is the molecular weight of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide?
The molecular weight of 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide is 601.92 g/mol.
Where can I buy 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide?
You can request a quote for 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Diethyl-9-methyl-selenocarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.