![1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone structure](/static/products/6979/69796-31-2.webp)
1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone
TL;DR: 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone (CAS 69796-31-2) is a chemical compound with molecular formula C10H10Cl3NO2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2,2,2-trichloro-1-hydroxyethyl)amino]phenyl]ethanone
Also Known As: 1-[4-[(2,2,2-trichloro-1-hydroxyethyl)amino]phenyl]ethanone, Acetophenone,2,2-trichloro-1-hydroxyethyl)amino]-, Ethanone,2,2-trichloro-1-hydroxyethyl)amino]phenyl]-, 1-[4-(2,2,2-trichloro-1-hydroxy-ethylamino)-phenyl]-ethanone, 1-{4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl}ethan-1-one
| Molecular Formula | C10H10Cl3NO2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.97772 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 69796-31-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)O |
| InChIKey | ALWIGMXNPDEQAW-UHFFFAOYSA-N |
Product Overview
1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone (CAS 69796-31-2), with molecular formula C10H10Cl3NO2 and molecular weight 280.98 g/mol. IUPAC: 1-[4-[(2,2,2-trichloro-1-hydroxyethyl)amino]phenyl]ethanone.
Chemical Property Profile of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone
Property Insights of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone. With a topological polar surface area (TPSA) of 49.3 Ų, 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone has 2 hydrogen bond donor(s) and 3 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-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone?
The CAS number of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone is 69796-31-2.
What is the molecular formula of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone?
The molecular formula of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone is C10H10Cl3NO2.
What is the molecular weight of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone?
The molecular weight of 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone is 280.98 g/mol.
Where can I buy 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone?
You can request a quote for 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(2,2,2-Trichloro-1-hydroxyethyl)amino]phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.