InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H
TL;DR: InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H (CAS 135351-33-6) is a chemical compound with molecular formula C5H4Cl3NO and molecular weight 198.93585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5-(trichloromethyl)-1,2-oxazole
Also Known As: 3-Methyl-5-(trichloromethyl)isoxazole, 3-methyl-5-trichloromethylisoxazole, 3-methyl-5-(trichloromethyl)-1,2-oxazole, 5-(Trichloromethyl)-3-methylisoxazole
Technical Specifications
| Molecular Formula | C5H4Cl3NO |
| Molecular Weight | 198.93585 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.93585 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| SMILES | CC1=NOC(=C1)C(Cl)(Cl)Cl |
| InChIKey | QMNYACMEFLFQKM-UHFFFAOYSA-N |
Chemical Property Profile of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H
Property Insights of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H. With a topological polar surface area (TPSA) of 26.0 Ų, InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H 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
What is the CAS number of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H?
The CAS number of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H is 135351-33-6.
What is the molecular formula of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H?
The molecular formula of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H is C5H4Cl3NO.
What is the molecular weight of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H?
The molecular weight of InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H is 198.93585 g/mol.
Where can I buy InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H?
You can request a quote for InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H?
Yes, CoreyChem provides custom synthesis services for InChI=1/C5H4Cl3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.