4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid
TL;DR: 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid (CAS 66975-04-0) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(4-aminophenyl)sulfanyl-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Paptga, p-aminophenyl 1-thio-beta-d-glucuronide, 4-Aminophenyl 1-thiohexopyranosiduronic acid, P-AMINOPHENYL 1-THIO-B-D-GLUCURONIDE, 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 66975-04-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | GUCRMDNXKXTARL-LIJGXYGRSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid (CAS 66975-04-0), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(4-aminophenyl)sulfanyl-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid
Property Insights of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid
The XLogP value of -0.1 indicates that 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid has 5 hydrogen bond donor(s) and 8 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 1-thio-beta-glucopyranosiduronic acid?
The CAS number of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid is 66975-04-0.
What is the molecular formula of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid?
The molecular formula of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid is C12H15NO6S.
What is the molecular weight of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid?
The molecular weight of 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid is 301.06 g/mol.
Where can I buy 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid?
You can request a quote for 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenyl 1-thio-beta-glucopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.