(2,4-Dimethylpentyl)benzene
TL;DR: (2,4-Dimethylpentyl)benzene (CAS 54518-00-2) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylpentylbenzene
Also Known As: benzene, (2,4-Dimethylpentyl)benzene, 2,4-dimethylpentylbenzene, Benzene, (2,4-dimethylpentyl)-, Benzene,(2,4-dimethylpentyl)
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 54518-00-2 |
|---|---|
| SMILES | CC(C)CC(C)CC1=CC=CC=C1 |
| InChIKey | QXXSGHXNHITGDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4-Dimethylpentyl)benzene (CAS 54518-00-2), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 2,4-dimethylpentylbenzene.
Chemical Property Profile of (2,4-Dimethylpentyl)benzene
Property Insights of (2,4-Dimethylpentyl)benzene
The XLogP value of 4.8 indicates that (2,4-Dimethylpentyl)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, (2,4-Dimethylpentyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Dimethylpentyl)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 (2,4-Dimethylpentyl)benzene?
The CAS number of (2,4-Dimethylpentyl)benzene is 54518-00-2.
What is the molecular formula of (2,4-Dimethylpentyl)benzene?
The molecular formula of (2,4-Dimethylpentyl)benzene is C13H20.
What is the molecular weight of (2,4-Dimethylpentyl)benzene?
The molecular weight of (2,4-Dimethylpentyl)benzene is 176.16 g/mol.
Where can I buy (2,4-Dimethylpentyl)benzene?
You can request a quote for (2,4-Dimethylpentyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dimethylpentyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dimethylpentyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.