4-(1-Chloro-2-methylpropyl)toluene
TL;DR: 4-(1-Chloro-2-methylpropyl)toluene (CAS 68857-83-0) 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-(1-chloro-2-methylpropyl)-4-methylbenzene
Also Known As: 4-(1-Chloro-2-methylpropyl)toluene, 4- TOLUENE, EINECS 272-512-4, 1-(1-chloro-2-methylpropyl)-4-methylbenzene, 2-Methyl-1-p-tolylpropyl chloride
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 3.93092 |
| 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 | 235.68596 |
Chemical Identifiers
| CAS Number | 68857-83-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(C)C)Cl |
Product Overview
4-(1-Chloro-2-methylpropyl)toluene (CAS 68857-83-0), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-(1-chloro-2-methylpropyl)-4-methylbenzene.
Chemical Property Profile of 4-(1-Chloro-2-methylpropyl)toluene
Property Insights of 4-(1-Chloro-2-methylpropyl)toluene
The XLogP value of 3.93092 indicates that 4-(1-Chloro-2-methylpropyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(1-Chloro-2-methylpropyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Chloro-2-methylpropyl)toluene 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 4-(1-Chloro-2-methylpropyl)toluene?
The CAS number of 4-(1-Chloro-2-methylpropyl)toluene is 68857-83-0.
What is the molecular formula of 4-(1-Chloro-2-methylpropyl)toluene?
The molecular formula of 4-(1-Chloro-2-methylpropyl)toluene is C11H15Cl.
What is the molecular weight of 4-(1-Chloro-2-methylpropyl)toluene?
The molecular weight of 4-(1-Chloro-2-methylpropyl)toluene is 182.09 g/mol.
Where can I buy 4-(1-Chloro-2-methylpropyl)toluene?
You can request a quote for 4-(1-Chloro-2-methylpropyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Chloro-2-methylpropyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Chloro-2-methylpropyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.