4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one
TL;DR: 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one (CAS 81189-95-9) is a chemical compound with molecular formula C5H4Cl4O2 and molecular weight 235.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-4-(2,2,2-trichloroethyl)oxetan-2-one
Also Known As: nchembio800-comp5, 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one, 4-chloro-4-(2,2,2-trichloroethyl)-oxetan-2-one, 2-Oxetanone, 4-chloro-4-(2,2,2-trichloroethyl)-, 4-Chloro-4-(2,2,2-trichloro-ethyl)-oxetan-2-one
| Molecular Formula | C5H4Cl4O2 |
|---|---|
| Molecular Weight | 235.90 g/mol |
| LogP | 2.6287 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.89655 |
| Heavy Atoms | 11 |
| Complexity | 177.41167 |
Chemical Identifiers
| CAS Number | 81189-95-9 |
|---|---|
| SMILES | C1C(=O)OC1(CC(Cl)(Cl)Cl)Cl |
Product Overview
4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one (CAS 81189-95-9), with molecular formula C5H4Cl4O2 and molecular weight 235.90 g/mol. IUPAC: 4-chloro-4-(2,2,2-trichloroethyl)oxetan-2-one.
Chemical Property Profile of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one
Property Insights of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one
The XLogP value of 2.6287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one has 0 hydrogen bond donor(s) and 2 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 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one?
The CAS number of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one is 81189-95-9.
What is the molecular formula of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one?
The molecular formula of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one is C5H4Cl4O2.
What is the molecular weight of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one?
The molecular weight of 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one is 235.90 g/mol.
Where can I buy 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one?
You can request a quote for 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-4-(2,2,2-trichloroethyl)oxetan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.