RefChem:118548
TL;DR: RefChem:118548 (CAS 68758-81-6) is a chemical compound with molecular formula C26H27BrN2O4Se2 and molecular weight 669.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[[3-(2-carboxyethyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5-methyl-1,3-benzoselenazol-3-yl]propanoic acid bromide
Also Known As: Benzoselenazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5-methyl-, bromide, 3-(2-Carboxyethyl)-2-(3-(3-(2-carboxyethyl)benzoselenazolinylidene)-2-ethyl-1-propenyl)-5-methylbenzoselenazolium bromide, Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-5-methyl-, bromide (1:1), Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-5-methyl-, bromide, Benzoselenazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-2(3H)-benzoselenazolylidene]methyl]-1-buten-1-yl]-5-methyl-, bromide (1:1)
| Molecular Formula | C26H27BrN2O4Se2 |
|---|---|
| Molecular Weight | 669.95 g/mol |
| LogP | -0.07 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 669.9485 |
| Heavy Atoms | 35 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 68758-81-6 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2[Se]1)CCC(=O)O)C=C3N(C4=C([Se]3)C=CC(=C4)C)CCC(=O)O.[Br-] |
| InChIKey | YZYMMTNUVFCXMK-UHFFFAOYSA-N |
Product Overview
RefChem:118548 (CAS 68758-81-6), with molecular formula C26H27BrN2O4Se2 and molecular weight 669.95 g/mol. IUPAC: 3-[2-[2-[[3-(2-carboxyethyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5-methyl-1,3-benzoselenazol-3-yl]propanoic acid bromide.
Chemical Property Profile of RefChem:118548
Property Insights of RefChem:118548
The XLogP value of -0.07 indicates that RefChem:118548 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118548. Following Lipinski's Rule of Five, RefChem:118548 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118548?
The CAS number of RefChem:118548 is 68758-81-6.
What is the molecular formula of RefChem:118548?
The molecular formula of RefChem:118548 is C26H27BrN2O4Se2.
What is the molecular weight of RefChem:118548?
The molecular weight of RefChem:118548 is 669.95 g/mol.
Where can I buy RefChem:118548?
You can request a quote for RefChem:118548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118548?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.