5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside
TL;DR: 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside (CAS 15548-60-4) is a chemical compound with molecular formula C14H15BrClNO6 and molecular weight 406.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: X-glucoside, X-Glc, Indoxyl-Glucoside, X-b-D-Glucoside, X-Gluc (Dicyclohexylamine)
| Molecular Formula | C14H15BrClNO6 |
|---|---|
| Molecular Weight | 406.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.97714 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 15548-60-4 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br |
| InChIKey | OPIFSICVWOWJMJ-LNNRFACYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside (CAS 15548-60-4), with molecular formula C14H15BrClNO6 and molecular weight 406.98 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside
Property Insights of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside 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-4-chloro-3-indolyl beta-D-glucopyranoside?
The CAS number of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside is 15548-60-4.
What is the molecular formula of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside?
The molecular formula of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside is C14H15BrClNO6.
What is the molecular weight of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside?
The molecular weight of 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside is 406.98 g/mol.
Where can I buy 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside?
You can request a quote for 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.