Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-
TL;DR: Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- (CAS 15945-64-9) is a chemical compound with molecular formula C9H5Cl3O and molecular weight 233.9406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-3-prop-2-ynoxybenzene
Also Known As: 1,2,4-trichloro-3-(prop-2-yn-1-yloxy)benzene, 1,2,4-trichloro-3-prop-2-ynoxybenzene, MB 603, UC 76220, Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-
Technical Specifications
| Molecular Formula | C9H5Cl3O |
| Molecular Weight | 233.9406 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.9406 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | C#CCOC1=C(C=CC(=C1Cl)Cl)Cl |
| InChIKey | TYOBMYLBXSEBNF-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-
Property Insights of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-
The XLogP value of 3.9 indicates that Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- 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 Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-?
The CAS number of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- is 15945-64-9.
What is the molecular formula of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-?
The molecular formula of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- is C9H5Cl3O.
What is the molecular weight of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-?
The molecular weight of Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- is 233.9406 g/mol.
Where can I buy Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-?
You can request a quote for Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1,2,4-trichloro-3-(2-propyn-1-yloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.