2-Methyl-3,3,3-trichloropropylene oxide
TL;DR: 2-Methyl-3,3,3-trichloropropylene oxide (CAS 16387-26-1) is a chemical compound with molecular formula C4H5Cl3O and molecular weight 173.9406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-(trichloromethyl)oxirane
Also Known As: Trichlor-isobutylenoxyd, 2-Methyl-2-(trichloromethyl)oxirane, 2-Methyl-3,3,3-trichloropropylene oxide, 1,2-Epoxy-2-methyl-3,3,3-trichloropropane, 2-(Trichloromethyl)-2-methyloxirane
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5Cl3O |
| Molecular Weight | 173.9406 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.9406 Da |
| Heavy Atoms | 8 |
| Complexity | 108.0 |
| SMILES | CC1(CO1)C(Cl)(Cl)Cl |
| InChIKey | PIUOYUWMRQKWGT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-3,3,3-trichloropropylene oxide
Property Insights of 2-Methyl-3,3,3-trichloropropylene oxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3,3,3-trichloropropylene oxide. With a topological polar surface area (TPSA) of 12.5 Ų, 2-Methyl-3,3,3-trichloropropylene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3,3,3-trichloropropylene oxide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-3,3,3-trichloropropylene oxide?
The CAS number of 2-Methyl-3,3,3-trichloropropylene oxide is 16387-26-1.
What is the molecular formula of 2-Methyl-3,3,3-trichloropropylene oxide?
The molecular formula of 2-Methyl-3,3,3-trichloropropylene oxide is C4H5Cl3O.
What is the molecular weight of 2-Methyl-3,3,3-trichloropropylene oxide?
The molecular weight of 2-Methyl-3,3,3-trichloropropylene oxide is 173.9406 g/mol.
Where can I buy 2-Methyl-3,3,3-trichloropropylene oxide?
You can request a quote for 2-Methyl-3,3,3-trichloropropylene oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-3,3,3-trichloropropylene oxide?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-3,3,3-trichloropropylene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.