Benzene, 1-methyl-4-(1-chloro-1-methylethyl)
TL;DR: Benzene, 1-methyl-4-(1-chloro-1-methylethyl) (CAS 7243-79-0) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloropropan-2-yl)-4-methylbenzene
Also Known As: p-methylcumyl chloride, 1-(2-chloropropan-2-yl)-4-methylbenzene, Benzene, 1-methyl-4-(1-chloro-1-methylethyl), 4-(1-Chloro-1-methylethyl)toluene, 1-Methyl-4-(1-methyl-1-chloroethyl)benzene
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 7243-79-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)(C)Cl |
| InChIKey | ITTZHNHXCRWVKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-4-(1-chloro-1-methylethyl) (CAS 7243-79-0), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 1-(2-chloropropan-2-yl)-4-methylbenzene.
Chemical Property Profile of Benzene, 1-methyl-4-(1-chloro-1-methylethyl)
Property Insights of Benzene, 1-methyl-4-(1-chloro-1-methylethyl)
The XLogP value of 3.3 indicates that Benzene, 1-methyl-4-(1-chloro-1-methylethyl) 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-methyl-4-(1-chloro-1-methylethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-(1-chloro-1-methylethyl) 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-methyl-4-(1-chloro-1-methylethyl)?
The CAS number of Benzene, 1-methyl-4-(1-chloro-1-methylethyl) is 7243-79-0.
What is the molecular formula of Benzene, 1-methyl-4-(1-chloro-1-methylethyl)?
The molecular formula of Benzene, 1-methyl-4-(1-chloro-1-methylethyl) is C10H13Cl.
What is the molecular weight of Benzene, 1-methyl-4-(1-chloro-1-methylethyl)?
The molecular weight of Benzene, 1-methyl-4-(1-chloro-1-methylethyl) is 168.07 g/mol.
Where can I buy Benzene, 1-methyl-4-(1-chloro-1-methylethyl)?
You can request a quote for Benzene, 1-methyl-4-(1-chloro-1-methylethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-(1-chloro-1-methylethyl)?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-(1-chloro-1-methylethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.