Epinine 3-O-sulfate
TL;DR: Epinine 3-O-sulfate (CAS 101910-85-4) is a chemical compound with molecular formula C9H13NO5S and molecular weight 247.05144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-hydroxy-5-[2-(methylamino)ethyl]phenyl] hydrogen sulfate
Also Known As: Epinine 3-O-sulfate, N-Methyldopamine 3-O-sulfate, 4-[2-(Methylamino)ethyl]catechol 2-sulfate, [2-hydroxy-5-[2-(methylamino)ethyl]phenyl] hydrogen sulfate, J3.105.850C
Technical Specifications
| Molecular Formula | C9H13NO5S |
| Molecular Weight | 247.05144 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.05144 Da |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| SMILES | CNCCC1=CC(=C(C=C1)O)OS(=O)(=O)O |
| InChIKey | PSPNNLYOAMJETR-UHFFFAOYSA-N |
Chemical Property Profile of Epinine 3-O-sulfate
Property Insights of Epinine 3-O-sulfate
The XLogP value of -2.5 indicates that Epinine 3-O-sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Epinine 3-O-sulfate. Following Lipinski's Rule of Five, Epinine 3-O-sulfate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Epinine 3-O-sulfate?
The CAS number of Epinine 3-O-sulfate is 101910-85-4.
What is the molecular formula of Epinine 3-O-sulfate?
The molecular formula of Epinine 3-O-sulfate is C9H13NO5S.
What is the molecular weight of Epinine 3-O-sulfate?
The molecular weight of Epinine 3-O-sulfate is 247.05144 g/mol.
Where can I buy Epinine 3-O-sulfate?
You can request a quote for Epinine 3-O-sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Epinine 3-O-sulfate?
Yes, CoreyChem provides custom synthesis services for Epinine 3-O-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.