2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate
TL;DR: 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate (CAS 956-46-7) is a chemical compound with molecular formula C9H11NO6S and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sulfo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Also Known As: Sulfotyrosine, sulfo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate, 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate, (2S)-2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate
| Molecular Formula | C9H11NO6S |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.0307 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 956-46-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)OS(=O)(=O)O)N)O |
| InChIKey | UEWPQJAUFIBPSJ-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate (CAS 956-46-7), with molecular formula C9H11NO6S and molecular weight 261.03 g/mol. IUPAC: sulfo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate
Property Insights of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate
The XLogP value of -2.4 indicates that 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate. Following Lipinski's Rule of Five, 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate has 3 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 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate?
The CAS number of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate is 956-46-7.
What is the molecular formula of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate?
The molecular formula of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate is C9H11NO6S.
What is the molecular weight of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate?
The molecular weight of 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate is 261.03 g/mol.
Where can I buy 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate?
You can request a quote for 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(4-hydroxyphenyl)propanoyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.