X-Gluc
TL;DR: X-Gluc (CAS 114162-64-0) is a chemical compound with molecular formula C14H12BrClNO7- and molecular weight 419.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: X-Gluc, 5-bromo-4-chloro-3-indolyl b-d-glucuronide cyclohexylammonium salt, (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate, (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate, .beta.-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)
| Molecular Formula | C14H12BrClNO7- |
|---|---|
| Molecular Weight | 419.95 g/mol |
| LogP | -0.4799 |
| Topological Polar Surface Area | 135.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.94858 |
| Heavy Atoms | 24 |
| Complexity | 781.8139 |
Chemical Identifiers
| CAS Number | 114162-64-0 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)Cl)Br |
Product Overview
X-Gluc (CAS 114162-64-0), with molecular formula C14H12BrClNO7- and molecular weight 419.95 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate.
Chemical Property Profile of X-Gluc
Property Insights of X-Gluc
The XLogP value of -0.4799 indicates that X-Gluc is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.07 Ų falls within the moderate polarity range, balancing permeability and solubility for X-Gluc. Following Lipinski's Rule of Five, X-Gluc 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
Frequently Asked Questions
What is the CAS number of X-Gluc?
The CAS number of X-Gluc is 114162-64-0.
What is the molecular formula of X-Gluc?
The molecular formula of X-Gluc is C14H12BrClNO7-.
What is the molecular weight of X-Gluc?
The molecular weight of X-Gluc is 419.95 g/mol.
Where can I buy X-Gluc?
You can request a quote for X-Gluc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X-Gluc?
Yes, KEHONG BIO provides custom synthesis services for X-Gluc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.