(1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate
TL;DR: (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate (CAS 87913-97-1) is a chemical compound with molecular formula C9H13NO5S and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] hydrogen sulfate
Also Known As: (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate, Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, mono(hydrogensulfate) (ester), (R)-, [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] hydrogen sulfate
| Molecular Formula | C9H13NO5S |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.05144 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 87913-97-1 |
|---|---|
| SMILES | CNC[C@@H](C1=CC(=CC=C1)O)OS(=O)(=O)O |
| InChIKey | BRSGUGOZGGFORD-VIFPVBQESA-N |
Product Overview
(1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate (CAS 87913-97-1), with molecular formula C9H13NO5S and molecular weight 247.05 g/mol. IUPAC: [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] hydrogen sulfate.
Chemical Property Profile of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate
Property Insights of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate
The XLogP value of -3.0 indicates that (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen 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 (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate. Following Lipinski's Rule of Five, (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen 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
Frequently Asked Questions
What is the CAS number of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate?
The CAS number of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate is 87913-97-1.
What is the molecular formula of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate?
The molecular formula of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate is C9H13NO5S.
What is the molecular weight of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate?
The molecular weight of (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate is 247.05 g/mol.
Where can I buy (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate?
You can request a quote for (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for (1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.