Vra-glcnac
TL;DR: Vra-glcnac (CAS 125261-87-2) is a chemical compound with molecular formula C21H27N3O10S2 and molecular weight 545.1138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azanium 2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: Vra-glcnac, ammonium 4-chloro-2,1,3-benzoxadiazole-7-sulfonate, 5-(4-(2-Acetamido-2-deoxy-beta-D-glucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate ammonium salt, 5-(4-(2-Acetamido-2-deoxyglucopyranosyloxy)-3-methoxyphenylmethylene)-2-thioxothiazolidin-4-one-3-ethanoate, azanium;2-[(5E)-5-[[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Technical Specifications
| Molecular Formula | C21H27N3O10S2 |
| Molecular Weight | 545.1138 g/mol |
| XLogP | -1.655 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.1138 Da |
| Heavy Atoms | 36 |
| Complexity | 866.0 |
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)[O-])OC)CO)O)O.[NH4+] |
| InChIKey | CEKMVWASOJLIAG-IYMWRXDZSA-N |
Chemical Property Profile of Vra-glcnac
Property Insights of Vra-glcnac
The XLogP value of -1.655 indicates that Vra-glcnac is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Vra-glcnac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vra-glcnac has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Vra-glcnac?
The CAS number of Vra-glcnac is 125261-87-2.
What is the molecular formula of Vra-glcnac?
The molecular formula of Vra-glcnac is C21H27N3O10S2.
What is the molecular weight of Vra-glcnac?
The molecular weight of Vra-glcnac is 545.1138 g/mol.
Where can I buy Vra-glcnac?
You can request a quote for Vra-glcnac directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vra-glcnac?
Yes, CoreyChem provides custom synthesis services for Vra-glcnac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.