4-Aminophenyl beta-lactoside
TL;DR: 4-Aminophenyl beta-lactoside (CAS 21003-11-2) is a chemical compound with molecular formula C18H27NO11 and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-(4-aminophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: PAPBL, 4-Aminophenyl beta-lactoside, p-Aminophenyl b-D-Lactopyranoside, para-Aminophenyl beta-lactoside, p-Aminophenyl-beta-D-lactoside
| Molecular Formula | C18H27NO11 |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.15842 |
| Heavy Atoms | 30 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 21003-11-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O |
| InChIKey | OCHWUNNDLIWPAO-MUKCROHVSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl beta-lactoside (CAS 21003-11-2), with molecular formula C18H27NO11 and molecular weight 433.16 g/mol. IUPAC: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-(4-aminophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 4-Aminophenyl beta-lactoside
Property Insights of 4-Aminophenyl beta-lactoside
The XLogP value of -3.2 indicates that 4-Aminophenyl beta-lactoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting 4-Aminophenyl beta-lactoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminophenyl beta-lactoside has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Aminophenyl beta-lactoside?
The CAS number of 4-Aminophenyl beta-lactoside is 21003-11-2.
What is the molecular formula of 4-Aminophenyl beta-lactoside?
The molecular formula of 4-Aminophenyl beta-lactoside is C18H27NO11.
What is the molecular weight of 4-Aminophenyl beta-lactoside?
The molecular weight of 4-Aminophenyl beta-lactoside is 433.16 g/mol.
Where can I buy 4-Aminophenyl beta-lactoside?
You can request a quote for 4-Aminophenyl beta-lactoside 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-lactoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenyl beta-lactoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.