RefChem:282224
TL;DR: RefChem:282224 (CAS 69838-62-6) is a chemical compound with molecular formula C26H26Cl2F6N4O2S and molecular weight 642.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate;dihydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, dihydrochloride, 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate dihydrochloride, 2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{3-[(trifluoromethyl)sulfanyl]anilino}pyridine-3-carboxylate--hydrogen chloride (1/2), RefChem:282224
| Molecular Formula | C26H26Cl2F6N4O2S |
|---|---|
| Molecular Weight | 642.11 g/mol |
| LogP | 7.2785 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 642.1058 |
| Heavy Atoms | 41 |
| Complexity | 1291.0719 |
Chemical Identifiers
| CAS Number | 69838-62-6 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC(=CC=C3)SC(F)(F)F)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl |
Product Overview
RefChem:282224 (CAS 69838-62-6), with molecular formula C26H26Cl2F6N4O2S and molecular weight 642.11 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate;dihydrochloride.
Chemical Property Profile of RefChem:282224
Property Insights of RefChem:282224
The XLogP value of 7.2785 indicates that RefChem:282224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, RefChem:282224 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:282224 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:282224?
The CAS number of RefChem:282224 is 69838-62-6.
What is the molecular formula of RefChem:282224?
The molecular formula of RefChem:282224 is C26H26Cl2F6N4O2S.
What is the molecular weight of RefChem:282224?
The molecular weight of RefChem:282224 is 642.11 g/mol.
Where can I buy RefChem:282224?
You can request a quote for RefChem:282224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:282224?
Yes, KEHONG BIO provides custom synthesis services for RefChem:282224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.