5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide
TL;DR: 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide (CAS 5609-91-6) is a chemical compound with molecular formula C16H18BrClN2O6 and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: X-GlcNAc, Magenta-b-D-GlcNAc, Magenta-beta-D-GlcNAc, 5-bromo-6-chloro-3-indolyl-n-acetyl-beta-d-glucosaminide, HY-W101382
| Molecular Formula | C16H18BrClN2O6 |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 0.9063 |
| Topological Polar Surface Area | 124.04 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.0037 |
| Heavy Atoms | 26 |
| Complexity | 815.379 |
Chemical Identifiers
| CAS Number | 5609-91-6 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CNC3=CC(=C(C=C32)Br)Cl)CO)O)O |
Product Overview
5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide (CAS 5609-91-6), with molecular formula C16H18BrClN2O6 and molecular weight 448.00 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide
Property Insights of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide
The XLogP value of 0.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide. The TPSA of 124.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide. Following Lipinski's Rule of Five, 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide?
The CAS number of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide is 5609-91-6.
What is the molecular formula of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide?
The molecular formula of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide is C16H18BrClN2O6.
What is the molecular weight of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide?
The molecular weight of 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide is 448.00 g/mol.
Where can I buy 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide?
You can request a quote for 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-chloro-3-indolyl N-acetyl-beta-D-glucosaminide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.