RefChem:118554
TL;DR: RefChem:118554 (CAS 988-93-2) is a chemical compound with molecular formula C25H28N2O4SSe2 and molecular weight 612.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[5-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole;ethyl sulfate
Also Known As: ethyl3-ethyl-2-[5- penta-1,3-dienyl]benzoselenazoliumsulphate, Benzoselenazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoselenazolylidene)-1,3-pentadienyl]-, ethyl sulfate, Benzoselenazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzoselenazolylidene)-1,3-pentadien-1-yl)-, ethyl sulfate (1:1), Benzoselenazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzoselenazolylidene)-1,3-pentadienyl)-, ethyl sulfate, Benzoselenazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoselenazolylidene)-1,3-pentadien-1-yl]-, ethyl sulfate (1:1)
| Molecular Formula | C25H28N2O4SSe2 |
|---|---|
| Molecular Weight | 612.01 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.01 |
| Heavy Atoms | 34 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 988-93-2 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2[Se]C1=CC=CC=CC3=[N+](C4=CC=CC=C4[Se]3)CC.CCOS(=O)(=O)[O-] |
| InChIKey | TVODQOCUGBJPPZ-UHFFFAOYSA-M |
Product Overview
RefChem:118554 (CAS 988-93-2), with molecular formula C25H28N2O4SSe2 and molecular weight 612.01 g/mol. IUPAC: 3-ethyl-2-[5-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoselenazole;ethyl sulfate.
Chemical Property Profile of RefChem:118554
Property Insights of RefChem:118554
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118554. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118554. Following Lipinski's Rule of Five, RefChem:118554 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118554?
The CAS number of RefChem:118554 is 988-93-2.
What is the molecular formula of RefChem:118554?
The molecular formula of RefChem:118554 is C25H28N2O4SSe2.
What is the molecular weight of RefChem:118554?
The molecular weight of RefChem:118554 is 612.01 g/mol.
Where can I buy RefChem:118554?
You can request a quote for RefChem:118554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118554?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.