(1-Methylcyclohexyl)benzene
TL;DR: (1-Methylcyclohexyl)benzene (CAS 828-45-5) 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-methylcyclohexyl)benzene
Also Known As: (1-methylcyclohexyl)benzene, 1-methyl-1-phenylcyclohexane, 1-methylcyclohexylbenzene, Benzene, (methylcyclohexyl)-, 1-phenyl-1-methylcyclohexane
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 5.0 |
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 828-45-5 |
|---|---|
| SMILES | CC1(CCCCC1)C2=CC=CC=C2 |
| InChIKey | RATMDIXKNCIQOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Methylcyclohexyl)benzene (CAS 828-45-5), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: (1-methylcyclohexyl)benzene.
Chemical Property Profile of (1-Methylcyclohexyl)benzene
Property Insights of (1-Methylcyclohexyl)benzene
The XLogP value of 5.0 indicates that (1-Methylcyclohexyl)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-Methylcyclohexyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylcyclohexyl)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-Methylcyclohexyl)benzene?
The CAS number of (1-Methylcyclohexyl)benzene is 828-45-5.
What is the molecular formula of (1-Methylcyclohexyl)benzene?
The molecular formula of (1-Methylcyclohexyl)benzene is C13H18.
What is the molecular weight of (1-Methylcyclohexyl)benzene?
The molecular weight of (1-Methylcyclohexyl)benzene is 174.14 g/mol.
Where can I buy (1-Methylcyclohexyl)benzene?
You can request a quote for (1-Methylcyclohexyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylcyclohexyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylcyclohexyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.