5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt
TL;DR: 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt (CAS 144110-43-0) is a chemical compound with molecular formula C20H26BrClN2O7 and molecular weight 520.0612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
Also Known As: Magenta-GlcA, Magenta glucuronide, magenta-beta-d-glca, Magenta-, A-D-GlcA
Technical Specifications
| Molecular Formula | C20H26BrClN2O7 |
| Molecular Weight | 520.0612 g/mol |
| XLogP | 2.1326 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.0612 Da |
| Heavy Atoms | 31 |
| Complexity | 532.0 |
| SMILES | C1CCC(CC1)N.C1=C2C(=CC(=C1Br)Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | HGZDFBMYVMPFHR-CYRSAHDMSA-N |
Chemical Property Profile of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt
Property Insights of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt
The XLogP value of 2.1326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt. The TPSA of 158.0 Ų indicates high polarity, suggesting 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt?
The CAS number of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt is 144110-43-0.
What is the molecular formula of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt?
The molecular formula of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt is C20H26BrClN2O7.
What is the molecular weight of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt?
The molecular weight of 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt is 520.0612 g/mol.
Where can I buy 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt?
You can request a quote for 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.