1,1,2-Trichloroethanol
TL;DR: 1,1,2-Trichloroethanol (CAS 13287-89-3) is a chemical compound with molecular formula C2H3Cl3O and molecular weight 147.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,2-trichloroethanol
Also Known As: Trichloroethanol, 1,1,2-Trichloroethanol, 1,2,2-trichloroethanol, trichloro ethanol, A-trichloroethanol
| Molecular Formula | C2H3Cl3O |
|---|---|
| Molecular Weight | 147.92 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.92494 |
| Heavy Atoms | 6 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 13287-89-3 |
|---|---|
| SMILES | C(C(Cl)Cl)(O)Cl |
| InChIKey | NIBKDWIGIKUFKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2-Trichloroethanol (CAS 13287-89-3), with molecular formula C2H3Cl3O and molecular weight 147.92 g/mol. IUPAC: 1,2,2-trichloroethanol.
Chemical Property Profile of 1,1,2-Trichloroethanol
Property Insights of 1,1,2-Trichloroethanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,2-Trichloroethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1,1,2-Trichloroethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2-Trichloroethanol has 1 hydrogen bond donor(s) and 1 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 1,1,2-Trichloroethanol?
The CAS number of 1,1,2-Trichloroethanol is 13287-89-3.
What is the molecular formula of 1,1,2-Trichloroethanol?
The molecular formula of 1,1,2-Trichloroethanol is C2H3Cl3O.
What is the molecular weight of 1,1,2-Trichloroethanol?
The molecular weight of 1,1,2-Trichloroethanol is 147.92 g/mol.
Where can I buy 1,1,2-Trichloroethanol?
You can request a quote for 1,1,2-Trichloroethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2-Trichloroethanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2-Trichloroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.