多巴硫酸酯
TL;DR: 多巴硫酸酯 (CAS 96253-55-3) is a chemical compound with molecular formula C9H11NO7S and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
多巴硫酸酯
(2S)-2-amino-3-(4-hydroxy-3-sulfooxyphenyl)propanoic acid
Also Known As: DOPA sulfate, L-Dopa 3-O-sulfate, L-Dopa 3-O-sulphate, 3-(SULFOOXY)-L-TYROSINE, L-Tyrosine, 3-(sulfooxy)-
| Molecular Formula | C9H11NO7S |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.02563 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 96253-55-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@@H](C(=O)O)N)OS(=O)(=O)O)O |
| InChIKey | SWJDFMNJUOJVPA-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多巴硫酸酯 (CAS 96253-55-3), with molecular formula C9H11NO7S and molecular weight 277.03 g/mol. IUPAC: (2S)-2-amino-3-(4-hydroxy-3-sulfooxyphenyl)propanoic acid.
Chemical Property Profile of 多巴硫酸酯
Property Insights of 多巴硫酸酯
The XLogP value of -3.3 indicates that 多巴硫酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 多巴硫酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 多巴硫酸酯 has 4 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 多巴硫酸酯?
The CAS number of 多巴硫酸酯 is 96253-55-3.
What is the molecular formula of 多巴硫酸酯?
The molecular formula of 多巴硫酸酯 is C9H11NO7S.
What is the molecular weight of 多巴硫酸酯?
The molecular weight of 多巴硫酸酯 is 277.03 g/mol.
Where can I buy 多巴硫酸酯?
You can request a quote for 多巴硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多巴硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 多巴硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.