(1-Chloroethyl)dimethylbenzene
TL;DR: (1-Chloroethyl)dimethylbenzene (CAS 54411-21-1) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3,5-dimethylbenzene
Also Known As: (1-CHLOROETHYL)DIMETHYLBENZENE, 1-(2-chloroethyl)-3,5-dimethylbenzene, Benzene, (1-chloroethyl)dimethyl-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.07057 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07057 Da |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
| SMILES | CC1=CC(=CC(=C1)CCCl)C |
| InChIKey | LYTASBYXDATWJV-UHFFFAOYSA-N |
Chemical Property Profile of (1-Chloroethyl)dimethylbenzene
Property Insights of (1-Chloroethyl)dimethylbenzene
The XLogP value of 3.5 indicates that (1-Chloroethyl)dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (1-Chloroethyl)dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloroethyl)dimethylbenzene has 0 hydrogen bond donor(s) and 0 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-Chloroethyl)dimethylbenzene?
The CAS number of (1-Chloroethyl)dimethylbenzene is 54411-21-1.
What is the molecular formula of (1-Chloroethyl)dimethylbenzene?
The molecular formula of (1-Chloroethyl)dimethylbenzene is C10H13Cl.
What is the molecular weight of (1-Chloroethyl)dimethylbenzene?
The molecular weight of (1-Chloroethyl)dimethylbenzene is 168.07057 g/mol.
Where can I buy (1-Chloroethyl)dimethylbenzene?
You can request a quote for (1-Chloroethyl)dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Chloroethyl)dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for (1-Chloroethyl)dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.