1-Cyclohexyl-2-methylbenzene
TL;DR: 1-Cyclohexyl-2-methylbenzene (CAS 4501-35-3) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-2-methylbenzene
Also Known As: 1-Cyclohexyl-2-methylbenzene, cyclohexyltoluene, 2-Cyclohexyltoluene, 2-Methyl-1-cyclohexylbenzene, (o-Tolyl)cyclohexane
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4501-35-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CCCCC2 |
| InChIKey | PCMIWASLPQNSCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexyl-2-methylbenzene (CAS 4501-35-3), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 1-cyclohexyl-2-methylbenzene.
Chemical Property Profile of 1-Cyclohexyl-2-methylbenzene
Property Insights of 1-Cyclohexyl-2-methylbenzene
The XLogP value of 4.8 indicates that 1-Cyclohexyl-2-methylbenzene 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-Cyclohexyl-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexyl-2-methylbenzene 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-Cyclohexyl-2-methylbenzene?
The CAS number of 1-Cyclohexyl-2-methylbenzene is 4501-35-3.
What is the molecular formula of 1-Cyclohexyl-2-methylbenzene?
The molecular formula of 1-Cyclohexyl-2-methylbenzene is C13H18.
What is the molecular weight of 1-Cyclohexyl-2-methylbenzene?
The molecular weight of 1-Cyclohexyl-2-methylbenzene is 174.14 g/mol.
Where can I buy 1-Cyclohexyl-2-methylbenzene?
You can request a quote for 1-Cyclohexyl-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexyl-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexyl-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.