Benzene, (3-chloro-1-methylbutyl)
TL;DR: Benzene, (3-chloro-1-methylbutyl) (CAS 1459-03-6) is a chemical compound with molecular formula C11H15Cl and molecular weight 182.08623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloropentan-2-ylbenzene
Also Known As: 2-chloro-4-phenylpentane, 4-chloropentan-2-ylbenzene, Benzene, (3-chloro-1-methylbutyl)
Technical Specifications
| Molecular Formula | C11H15Cl |
| Molecular Weight | 182.08623 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08623 Da |
| Heavy Atoms | 12 |
| Complexity | 116.0 |
| SMILES | CC(CC(C)Cl)C1=CC=CC=C1 |
| InChIKey | CLRBIRTXHRWANQ-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, (3-chloro-1-methylbutyl)
Property Insights of Benzene, (3-chloro-1-methylbutyl)
The XLogP value of 3.9 indicates that Benzene, (3-chloro-1-methylbutyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (3-chloro-1-methylbutyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-chloro-1-methylbutyl) 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 Benzene, (3-chloro-1-methylbutyl)?
The CAS number of Benzene, (3-chloro-1-methylbutyl) is 1459-03-6.
What is the molecular formula of Benzene, (3-chloro-1-methylbutyl)?
The molecular formula of Benzene, (3-chloro-1-methylbutyl) is C11H15Cl.
What is the molecular weight of Benzene, (3-chloro-1-methylbutyl)?
The molecular weight of Benzene, (3-chloro-1-methylbutyl) is 182.08623 g/mol.
Where can I buy Benzene, (3-chloro-1-methylbutyl)?
You can request a quote for Benzene, (3-chloro-1-methylbutyl) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, (3-chloro-1-methylbutyl)?
Yes, CoreyChem provides custom synthesis services for Benzene, (3-chloro-1-methylbutyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.