4-(Trichloromethyl)-2-oxetanone
TL;DR: 4-(Trichloromethyl)-2-oxetanone (CAS 20710-34-3) is a chemical compound with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trichloromethyl)oxetan-2-one
Also Known As: 4-(trichloromethyl)oxetan-2-one, 3-Trichlormethylpropiolacton, 4-(Trichloromethyl)-2-oxetanone, 4-Trichloromethyloxetan-2-one, 4-(Trichloromethyl)oxetane-2-one
| Molecular Formula | C4H3Cl3O2 |
|---|---|
| Molecular Weight | 187.92 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.91986 |
| Heavy Atoms | 9 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 20710-34-3 |
|---|---|
| SMILES | C1C(OC1=O)C(Cl)(Cl)Cl |
| InChIKey | CPNBMBBRKINRNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trichloromethyl)-2-oxetanone (CAS 20710-34-3), with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol. IUPAC: 4-(trichloromethyl)oxetan-2-one.
Chemical Property Profile of 4-(Trichloromethyl)-2-oxetanone
Property Insights of 4-(Trichloromethyl)-2-oxetanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trichloromethyl)-2-oxetanone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Trichloromethyl)-2-oxetanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trichloromethyl)-2-oxetanone 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-(Trichloromethyl)-2-oxetanone?
The CAS number of 4-(Trichloromethyl)-2-oxetanone is 20710-34-3.
What is the molecular formula of 4-(Trichloromethyl)-2-oxetanone?
The molecular formula of 4-(Trichloromethyl)-2-oxetanone is C4H3Cl3O2.
What is the molecular weight of 4-(Trichloromethyl)-2-oxetanone?
The molecular weight of 4-(Trichloromethyl)-2-oxetanone is 187.92 g/mol.
Where can I buy 4-(Trichloromethyl)-2-oxetanone?
You can request a quote for 4-(Trichloromethyl)-2-oxetanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trichloromethyl)-2-oxetanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trichloromethyl)-2-oxetanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.