1-Chloromethyl-3-(1,1-dimethylethyl)benzene
TL;DR: 1-Chloromethyl-3-(1,1-dimethylethyl)benzene (CAS 38580-79-9) 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-3-(chloromethyl)benzene
Also Known As: 1-tert-Butyl-3-(chloromethyl)benzene, 3-tert-Butylbenzyl Chloride, Butenafine Impurity 10, 1-Chloromethyl-3-(1,1-dimethylethyl)benzene, m-t-Butylbenzylchlorid
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 38580-79-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC(=C1)CCl |
| InChIKey | QZWCABOLGIVZCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloromethyl-3-(1,1-dimethylethyl)benzene (CAS 38580-79-9), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-tert-butyl-3-(chloromethyl)benzene.
Chemical Property Profile of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene
Property Insights of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene
The XLogP value of 4.0 indicates that 1-Chloromethyl-3-(1,1-dimethylethyl)benzene 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-Chloromethyl-3-(1,1-dimethylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloromethyl-3-(1,1-dimethylethyl)benzene 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-Chloromethyl-3-(1,1-dimethylethyl)benzene?
The CAS number of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene is 38580-79-9.
What is the molecular formula of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene?
The molecular formula of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene is C11H15Cl.
What is the molecular weight of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene?
The molecular weight of 1-Chloromethyl-3-(1,1-dimethylethyl)benzene is 182.09 g/mol.
Where can I buy 1-Chloromethyl-3-(1,1-dimethylethyl)benzene?
You can request a quote for 1-Chloromethyl-3-(1,1-dimethylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloromethyl-3-(1,1-dimethylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloromethyl-3-(1,1-dimethylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.