5-Bromo-4-chloro-3-indolylglucuronide
TL;DR: 5-Bromo-4-chloro-3-indolylglucuronide (CAS 18656-89-8) is a chemical compound with molecular formula C14H13BrClNO7 and molecular weight 420.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Bci-3 glud, X-Gluc, 5-Bromo-4-chloro-3-indolylglucuronide, 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt, (2S,3S,4S,5R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C14H13BrClNO7 |
|---|---|
| Molecular Weight | 420.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.9564 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 18656-89-8 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC=C2OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br |
| InChIKey | DHJFFLKPAYHPHU-ZAOAHOKWSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-4-chloro-3-indolylglucuronide (CAS 18656-89-8), with molecular formula C14H13BrClNO7 and molecular weight 420.96 g/mol. IUPAC: (2S,3S,4S,5R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 5-Bromo-4-chloro-3-indolylglucuronide
Property Insights of 5-Bromo-4-chloro-3-indolylglucuronide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-chloro-3-indolylglucuronide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-4-chloro-3-indolylglucuronide. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-3-indolylglucuronide has 5 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 5-Bromo-4-chloro-3-indolylglucuronide?
The CAS number of 5-Bromo-4-chloro-3-indolylglucuronide is 18656-89-8.
What is the molecular formula of 5-Bromo-4-chloro-3-indolylglucuronide?
The molecular formula of 5-Bromo-4-chloro-3-indolylglucuronide is C14H13BrClNO7.
What is the molecular weight of 5-Bromo-4-chloro-3-indolylglucuronide?
The molecular weight of 5-Bromo-4-chloro-3-indolylglucuronide is 420.96 g/mol.
Where can I buy 5-Bromo-4-chloro-3-indolylglucuronide?
You can request a quote for 5-Bromo-4-chloro-3-indolylglucuronide 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-indolylglucuronide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-3-indolylglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.