5-Bromoindoxyl-beta-cellobioside
TL;DR: 5-Bromoindoxyl-beta-cellobioside (CAS 124613-91-8) is a chemical compound with molecular formula C20H26BrNO11 and molecular weight 535.0689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Bri-cellobioside, 5-Bromoindoxyl-beta-cellobioside, 5-Bromo-1H-indol-3-yl 4-O-hexopyranosylhexopyranoside, (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, 5-bromo-1H-indol-3-yl 4-O-beta-D-glucopyranosyl-
Technical Specifications
| Molecular Formula | C20H26BrNO11 |
| Molecular Weight | 535.0689 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.0689 Da |
| Heavy Atoms | 33 |
| Complexity | 649.0 |
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChIKey | IKBQYGJTUJRMFW-NQXZFOFXSA-N |
Chemical Property Profile of 5-Bromoindoxyl-beta-cellobioside
Property Insights of 5-Bromoindoxyl-beta-cellobioside
The XLogP value of -1.6 indicates that 5-Bromoindoxyl-beta-cellobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting 5-Bromoindoxyl-beta-cellobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromoindoxyl-beta-cellobioside has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Bromoindoxyl-beta-cellobioside?
The CAS number of 5-Bromoindoxyl-beta-cellobioside is 124613-91-8.
What is the molecular formula of 5-Bromoindoxyl-beta-cellobioside?
The molecular formula of 5-Bromoindoxyl-beta-cellobioside is C20H26BrNO11.
What is the molecular weight of 5-Bromoindoxyl-beta-cellobioside?
The molecular weight of 5-Bromoindoxyl-beta-cellobioside is 535.0689 g/mol.
Where can I buy 5-Bromoindoxyl-beta-cellobioside?
You can request a quote for 5-Bromoindoxyl-beta-cellobioside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromoindoxyl-beta-cellobioside?
Yes, CoreyChem provides custom synthesis services for 5-Bromoindoxyl-beta-cellobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.