ST 558
TL;DR: ST 558 (CAS 116680-79-6) is a chemical compound with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]phenol;hydrochloride
Also Known As: ST 558, 2-((N-2-p-Hydroxyphenyl-2-ethanol)amino)-6,7-dimethoxytetraline hydrochloride, Benzenemethanol, 4-hydroxy-alpha-(((1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)amino)methyl)-, hydrochloride, 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]phenol hydrochloride, 4-{2-[(6,7-Dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl}phenol--hydrogen chloride (1/1)
| Molecular Formula | C20H26ClNO4 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 3.0117 |
| Topological Polar Surface Area | 70.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.15503 |
| Heavy Atoms | 26 |
| Complexity | 720.4963 |
Chemical Identifiers
| CAS Number | 116680-79-6 |
|---|---|
| SMILES | COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)O)O)OC.Cl |
Product Overview
ST 558 (CAS 116680-79-6), with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol. IUPAC: 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]phenol;hydrochloride.
Chemical Property Profile of ST 558
Property Insights of ST 558
The XLogP value of 3.0117 indicates that ST 558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ST 558. Following Lipinski's Rule of Five, ST 558 has 3 hydrogen bond donor(s) and 5 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 ST 558?
The CAS number of ST 558 is 116680-79-6.
What is the molecular formula of ST 558?
The molecular formula of ST 558 is C20H26ClNO4.
What is the molecular weight of ST 558?
The molecular weight of ST 558 is 379.16 g/mol.
Where can I buy ST 558?
You can request a quote for ST 558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ST 558?
Yes, KEHONG BIO provides custom synthesis services for ST 558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.