ST 590
TL;DR: ST 590 (CAS 116680-76-3) is a chemical compound with molecular formula C21H25ClF3NO3 and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride
Also Known As: ST 590, Benzenemethanol, alpha-(((1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)amino)methyl)-4-(trifluoromethyl)-, hydrochloride, 2-[(6,7-dimethoxytetralin-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol hydrochloride, 2-[(6,7-Dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethan-1-ol--hydrogen chloride (1/1), 2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol hydrochloride
| Molecular Formula | C21H25ClF3NO3 |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 4.3249 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1475 |
| Heavy Atoms | 29 |
| Complexity | 812.054 |
Chemical Identifiers
| CAS Number | 116680-76-3 |
|---|---|
| SMILES | COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)C(F)(F)F)O)OC.Cl |
Product Overview
ST 590 (CAS 116680-76-3), with molecular formula C21H25ClF3NO3 and molecular weight 431.15 g/mol. IUPAC: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride.
Chemical Property Profile of ST 590
Property Insights of ST 590
The XLogP value of 4.3249 indicates that ST 590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.72 Ų, ST 590 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ST 590 has 2 hydrogen bond donor(s) and 4 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 590?
The CAS number of ST 590 is 116680-76-3.
What is the molecular formula of ST 590?
The molecular formula of ST 590 is C21H25ClF3NO3.
What is the molecular weight of ST 590?
The molecular weight of ST 590 is 431.15 g/mol.
Where can I buy ST 590?
You can request a quote for ST 590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ST 590?
Yes, KEHONG BIO provides custom synthesis services for ST 590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.