ST 592
TL;DR: ST 592 (CAS 116680-77-4) is a chemical compound with molecular formula C23H29ClF3NO3 and molecular weight 459.18 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)-ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride
Also Known As: Benzenemethanol, alpha-((ethyl(1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)amino)methyl)-4-(trifluoromethyl)-, hydrochloride, 2-((N-Ethyl,N-2-p-trifluoromethylphenyl-2-ethanol)amino)-6,7-dimethoxytetraline hydrochloride, 2-[(6,7-Dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)(ethyl)amino]-1-[4-(trifluoromethyl)phenyl]ethan-1-ol--hydrogen chloride (1/1), 2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol hydrochloride, RefChem:325018
| Molecular Formula | C23H29ClF3NO3 |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 5.0572 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1788 |
| Heavy Atoms | 31 |
| Complexity | 858.38055 |
Chemical Identifiers
| CAS Number | 116680-77-4 |
|---|---|
| SMILES | CCN(CC(C1=CC=C(C=C1)C(F)(F)F)O)C2CCC3=CC(=C(C=C3C2)OC)OC.Cl |
Product Overview
ST 592 (CAS 116680-77-4), with molecular formula C23H29ClF3NO3 and molecular weight 459.18 g/mol. IUPAC: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride.
Chemical Property Profile of ST 592
Property Insights of ST 592
The XLogP value of 5.0572 indicates that ST 592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.93 Ų, ST 592 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ST 592 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ST 592?
The CAS number of ST 592 is 116680-77-4.
What is the molecular formula of ST 592?
The molecular formula of ST 592 is C23H29ClF3NO3.
What is the molecular weight of ST 592?
The molecular weight of ST 592 is 459.18 g/mol.
Where can I buy ST 592?
You can request a quote for ST 592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ST 592?
Yes, KEHONG BIO provides custom synthesis services for ST 592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.