1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-
TL;DR: 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- (CAS 87919-34-4) is a chemical compound with molecular formula C10H12F3NO2 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol
Also Known As: 2,2,2-Tedpea, KST-1B9000, 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-, 4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol, N-2,2,2-Trifluoroethyl-2-(3,4-dihydroxyphenyl)ethylamine
| Molecular Formula | C10H12F3NO2 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08202 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 87919-34-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCNCC(F)(F)F)O)O |
| InChIKey | ZRTODHMSYNCMQW-UHFFFAOYSA-N |
Product Overview
1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- (CAS 87919-34-4), with molecular formula C10H12F3NO2 and molecular weight 235.08 g/mol. IUPAC: 4-[2-(2,2,2-trifluoroethylamino)ethyl]benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-
Property Insights of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-. With a topological polar surface area (TPSA) of 52.5 Ų, 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- 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 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-?
The CAS number of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- is 87919-34-4.
What is the molecular formula of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-?
The molecular formula of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- is C10H12F3NO2.
What is the molecular weight of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-?
The molecular weight of 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- is 235.08 g/mol.
Where can I buy 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-?
You can request a quote for 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(2-((2,2,2-trifluoroethyl)amino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.