Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-
TL;DR: Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- (CAS 359442-99-2) is a chemical compound with molecular formula C11H15Cl and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-chloro-4-methylbenzene
Also Known As: p-t-Butyltoluene, monochlorinated, 1-tert-butyl-2-chloro-4-methylbenzene, Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-, 2-tert-Butyl-5-methylphenyl chloride, Chloro-1-(1,1-dimethylethyl)-4-methylbenzene
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 359442-99-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)(C)C)Cl |
| InChIKey | XQVQFDUMCCPINW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- (CAS 359442-99-2), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-tert-butyl-2-chloro-4-methylbenzene.
Chemical Property Profile of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-
Property Insights of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-
The XLogP value of 4.6 indicates that Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- 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, chloro-1-(1,1-dimethylethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- 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
Frequently Asked Questions
What is the CAS number of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-?
The CAS number of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- is 359442-99-2.
What is the molecular formula of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-?
The molecular formula of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- is C11H15Cl.
What is the molecular weight of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-?
The molecular weight of Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- is 182.09 g/mol.
Where can I buy Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-?
You can request a quote for Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.