X-glucuronide
TL;DR: X-glucuronide (CAS 18656-96-7) is a chemical compound with molecular formula C20H26BrClN2O7 and molecular weight 520.06 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-carboxylic acid;cyclohexanamine
Also Known As: X-glucuronide, X-Gluc, X-Gluc cyclohexanamine, X-GlcA, X-Gluc (cyclohexanamine)
| Molecular Formula | C20H26BrClN2O7 |
|---|---|
| Molecular Weight | 520.06 g/mol |
| LogP | 2.1326 |
| Topological Polar Surface Area | 158.26 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.0612 |
| Heavy Atoms | 31 |
| Complexity | 905.0258 |
Chemical Identifiers
| CAS Number | 18656-96-7 |
|---|---|
| SMILES | C1CCC(CC1)N.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-glucuronide (CAS 18656-96-7), with molecular formula C20H26BrClN2O7 and molecular weight 520.06 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine.
Chemical Property Profile of X-glucuronide
Property Insights of X-glucuronide
The XLogP value of 2.1326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for X-glucuronide. The TPSA of 158.26 Ų indicates high polarity, suggesting X-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, X-glucuronide has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of X-glucuronide?
The CAS number of X-glucuronide is 18656-96-7.
What is the molecular formula of X-glucuronide?
The molecular formula of X-glucuronide is C20H26BrClN2O7.
What is the molecular weight of X-glucuronide?
The molecular weight of X-glucuronide is 520.06 g/mol.
Where can I buy X-glucuronide?
You can request a quote for X-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for X-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.