1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene
TL;DR: 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene (CAS 23203-13-6) 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-2-(chloromethyl)-1-methylbenzene
Also Known As: 4-(tert-Butyl)-2-(chloromethyl)-1-methylbenzene, 4-tert-butyl-2-(chloromethyl)-1-methylbenzene, 1-methyl-2-chloromethyl-4-(1,1-dimethylethyl)benzene, 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene, Benzene, 2-(chloromethyl)-1-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 | 23203-13-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)(C)C)CCl |
| InChIKey | HALFEDSYDFTNIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene (CAS 23203-13-6), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 4-tert-butyl-2-(chloromethyl)-1-methylbenzene.
Chemical Property Profile of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene
Property Insights of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene
The XLogP value of 4.3 indicates that 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene 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-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene 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 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene?
The CAS number of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene is 23203-13-6.
What is the molecular formula of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene?
The molecular formula of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene is C12H17Cl.
What is the molecular weight of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene?
The molecular weight of 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene is 196.10 g/mol.
Where can I buy 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene?
You can request a quote for 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(1,1-dimethylethyl)-2-chloromethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.