Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)
TL;DR: Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) (CAS 23203-14-7) 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.
4-tert-butyl-1-(chloromethyl)-2-methylbenzene
Also Known As: 4-t-butyl-2-methylbenzylchloride, 4-tert-butyl-1-(chloromethyl)-2-methylbenzene, 1-methyl-2-chloromethyl-5-(1,1-dimethylethyl)benzene, Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)
| Molecular Formula | C12H17Cl |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.10188 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 23203-14-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)CCl |
| InChIKey | DDMGSGAAOLZOBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) (CAS 23203-14-7), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 4-tert-butyl-1-(chloromethyl)-2-methylbenzene.
Chemical Property Profile of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)
Property Insights of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)
The XLogP value of 4.3 indicates that Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) 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, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) 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, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)?
The CAS number of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) is 23203-14-7.
What is the molecular formula of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)?
The molecular formula of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) is C12H17Cl.
What is the molecular weight of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)?
The molecular weight of Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) is 196.10 g/mol.
Where can I buy Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)?
You can request a quote for Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl)?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(chloromethyl)-2-methyl-4-(1,1-dimethylethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.