Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-
TL;DR: Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- (CAS 28162-11-0) is a chemical compound with molecular formula C12H17Cl and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene
Also Known As: alpha-Chloro-4-(tert-pentyl)toluene, P-t-amyl chlorobenzyl, P-t-Amylchlorobenzyl, zlchem 1022, 1-(Chloromethyl)-4-(tert-pentyl)benzene
| Molecular Formula | C12H17Cl |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.10188 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 28162-11-0 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)CCl |
| InChIKey | GZSVKIJGGVPFGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- (CAS 28162-11-0), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene.
Chemical Property Profile of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-
Property Insights of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-
The XLogP value of 4.5 indicates that Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- 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 Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-?
The CAS number of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- is 28162-11-0.
What is the molecular formula of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-?
The molecular formula of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- is C12H17Cl.
What is the molecular weight of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-?
The molecular weight of Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- is 196.10 g/mol.
Where can I buy Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-?
You can request a quote for Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.