6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid
TL;DR: 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid (CAS 22720-35-0) is a chemical compound with molecular formula C16H15BrO7 and molecular weight 398.00012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-6-(6-bromonaphthalen-2-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Br-Nap-a-D-GlcA, 6-Bromo-2-naphthyl beta-D-glucuronide, 6-Bromo-2-naphthyl b-D-glucuronide, 6-Bromo-2-naphthyl beta-D-glucopyranosiduronic acid, 6-BROMO-2-NAPHTHYL-BETA-D-GLUCURONIDE
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H15BrO7 |
| Molecular Weight | 398.00012 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.00012 Da |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
| SMILES | C1=CC2=C(C=CC(=C2)Br)C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | TYDGGWYIJKMLEO-JHZZJYKESA-N |
Chemical Property Profile of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid
Property Insights of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid. Following Lipinski's Rule of Five, 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid?
The CAS number of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid is 22720-35-0.
What is the molecular formula of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid?
The molecular formula of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid is C16H15BrO7.
What is the molecular weight of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid?
The molecular weight of 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid is 398.00012 g/mol.
Where can I buy 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid?
You can request a quote for 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid?
Yes, CoreyChem provides custom synthesis services for 6-Bromo-2-naphthalenyl beta-D-glucopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.