1,2,4-Trichloro-2-methyl-3-pentanone
TL;DR: 1,2,4-Trichloro-2-methyl-3-pentanone (CAS 145556-04-3) is a chemical compound with molecular formula C6H9Cl3O and molecular weight 201.9719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-2-methylpentan-3-one
Also Known As: 3-Pentanone, 1,2,4-trichloro-2-methyl-, 1,2,4-trichloro-2-methylpentan-3-one, 1,2,4-Trichloro-2-methyl-3-pentanone, J1.598.759F, 3-PENTANONE,1,2,4-TRICHLORO-2-METHYL-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9Cl3O |
| Molecular Weight | 201.9719 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.9719 Da |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
| SMILES | CC(C(=O)C(C)(CCl)Cl)Cl |
| InChIKey | KAUWEMQJFDRELR-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,4-Trichloro-2-methyl-3-pentanone
Property Insights of 1,2,4-Trichloro-2-methyl-3-pentanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trichloro-2-methyl-3-pentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2,4-Trichloro-2-methyl-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-2-methyl-3-pentanone 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 1,2,4-Trichloro-2-methyl-3-pentanone?
The CAS number of 1,2,4-Trichloro-2-methyl-3-pentanone is 145556-04-3.
What is the molecular formula of 1,2,4-Trichloro-2-methyl-3-pentanone?
The molecular formula of 1,2,4-Trichloro-2-methyl-3-pentanone is C6H9Cl3O.
What is the molecular weight of 1,2,4-Trichloro-2-methyl-3-pentanone?
The molecular weight of 1,2,4-Trichloro-2-methyl-3-pentanone is 201.9719 g/mol.
Where can I buy 1,2,4-Trichloro-2-methyl-3-pentanone?
You can request a quote for 1,2,4-Trichloro-2-methyl-3-pentanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Trichloro-2-methyl-3-pentanone?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Trichloro-2-methyl-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.