4-Aminophenyl-beta-D-glucuronide
TL;DR: 4-Aminophenyl-beta-D-glucuronide (CAS 21080-66-0) is a chemical compound with molecular formula C12H15NO7 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 4-Aminophenyl b-D-glucuronide, 4-Aminophenyl-beta-D-glucuronide, 4-Aminophenyl, A-D-Glucuronide, 4-Aminophenyl -D-Glucuronide
| Molecular Formula | C12H15NO7 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | -1.4602 |
| Topological Polar Surface Area | 142.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.08484 |
| Heavy Atoms | 20 |
| Complexity | 477.1991 |
Chemical Identifiers
| CAS Number | 21080-66-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N)OC2C(C(C(C(O2)C(=O)O)O)O)O |
Product Overview
4-Aminophenyl-beta-D-glucuronide (CAS 21080-66-0), with molecular formula C12H15NO7 and molecular weight 285.08 g/mol. IUPAC: 6-(4-aminophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 4-Aminophenyl-beta-D-glucuronide
Property Insights of 4-Aminophenyl-beta-D-glucuronide
The XLogP value of -1.4602 indicates that 4-Aminophenyl-beta-D-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.47 Ų indicates high polarity, suggesting 4-Aminophenyl-beta-D-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminophenyl-beta-D-glucuronide 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 4-Aminophenyl-beta-D-glucuronide?
The CAS number of 4-Aminophenyl-beta-D-glucuronide is 21080-66-0.
What is the molecular formula of 4-Aminophenyl-beta-D-glucuronide?
The molecular formula of 4-Aminophenyl-beta-D-glucuronide is C12H15NO7.
What is the molecular weight of 4-Aminophenyl-beta-D-glucuronide?
The molecular weight of 4-Aminophenyl-beta-D-glucuronide is 285.08 g/mol.
Where can I buy 4-Aminophenyl-beta-D-glucuronide?
You can request a quote for 4-Aminophenyl-beta-D-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenyl-beta-D-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenyl-beta-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.