RefChem:118549
TL;DR: RefChem:118549 (CAS 89703-05-9) is a chemical compound with molecular formula C27H29BrN2O4Se2 and molecular weight 683.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[[3-(2-carboxyethyl)-5-methyl-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)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-5-methyl-, bromide, Benzoselenazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene]methyl]-1-buten-1-yl]-5-methyl-, bromide (1:1), 3-(2-Carboxyethyl)-2-(2-{[3-(2-carboxyethyl)-5-methyl-1,3-benzoselenazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-5-methyl-1,3-benzoselenazol-3-ium bromide, Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-5-methyl-, bromide (1:1), Benzoselenazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5-methyl-, bromide
| Molecular Formula | C27H29BrN2O4Se2 |
|---|---|
| Molecular Weight | 683.96 g/mol |
| LogP | 0.23904 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 683.9641 |
| Heavy Atoms | 36 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 89703-05-9 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)C)CCC(=O)O)C=C3N(C4=C([Se]3)C=CC(=C4)C)CCC(=O)O.[Br-] |
| InChIKey | SKHZPPORJXRKBC-UHFFFAOYSA-N |
Product Overview
RefChem:118549 (CAS 89703-05-9), with molecular formula C27H29BrN2O4Se2 and molecular weight 683.96 g/mol. IUPAC: 3-[2-[2-[[3-(2-carboxyethyl)-5-methyl-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5-methyl-1,3-benzoselenazol-3-yl]propanoic acid bromide.
Chemical Property Profile of RefChem:118549
Property Insights of RefChem:118549
The XLogP value of 0.23904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118549. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118549. Following Lipinski's Rule of Five, RefChem:118549 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:118549?
The CAS number of RefChem:118549 is 89703-05-9.
What is the molecular formula of RefChem:118549?
The molecular formula of RefChem:118549 is C27H29BrN2O4Se2.
What is the molecular weight of RefChem:118549?
The molecular weight of RefChem:118549 is 683.96 g/mol.
Where can I buy RefChem:118549?
You can request a quote for RefChem:118549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118549?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.