RefChem:118551
TL;DR: RefChem:118551 (CAS 68555-40-8) is a chemical compound with molecular formula C25H29IN2O2Se2 and molecular weight 675.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5-methoxy-1,3-benzoselenazole iodide
Also Known As: 5,5'-Dimethoxy-3,3',9-triethyl-2,2'-selenocarbocyanine iodide, Benzoselenazolium, 3-ethyl-2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5-methoxy-, iodide, Benzoselenazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-5-methoxy-, iodide (1:1), Benzoselenazolium, 3-ethyl-2-(2-((3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-5-methoxy-, iodide, Benzoselenazolium, 3-ethyl-2-[2-[(3-ethyl-5-methoxy-2(3H)-benzoselenazolylidene)methyl]-1-buten-1-yl]-5-methoxy-, iodide (1:1)
| Molecular Formula | C25H29IN2O2Se2 |
|---|---|
| Molecular Weight | 675.96 g/mol |
| LogP | 0.73 |
| Topological Polar Surface Area | 25.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 675.96045 |
| Heavy Atoms | 32 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 68555-40-8 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)C=C3N(C4=C([Se]3)C=CC(=C4)OC)CC.[I-] |
| InChIKey | ASRVKUKDAHSKCZ-UHFFFAOYSA-M |
Product Overview
RefChem:118551 (CAS 68555-40-8), with molecular formula C25H29IN2O2Se2 and molecular weight 675.96 g/mol. IUPAC: 3-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5-methoxy-1,3-benzoselenazole iodide.
Chemical Property Profile of RefChem:118551
Property Insights of RefChem:118551
The XLogP value of 0.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118551. With a topological polar surface area (TPSA) of 25.6 Ų, RefChem:118551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118551 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118551?
The CAS number of RefChem:118551 is 68555-40-8.
What is the molecular formula of RefChem:118551?
The molecular formula of RefChem:118551 is C25H29IN2O2Se2.
What is the molecular weight of RefChem:118551?
The molecular weight of RefChem:118551 is 675.96 g/mol.
Where can I buy RefChem:118551?
You can request a quote for RefChem:118551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118551?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.