1,4-Dimethyl-2-n-butylbenzene
TL;DR: 1,4-Dimethyl-2-n-butylbenzene (CAS 1601-71-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,4-dimethylbenzene
Also Known As: 2-butyl-1,4-dimethylbenzene, p-xylene, 2-butyl-, 1,4-Dimethyl-2-butylbenzene, 1,4-Dimethyl-2-n-butylbenzene, Benzene, 2-butyl-1,4-dimethyl
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 1601-71-4 |
|---|---|
| SMILES | CCCCC1=C(C=CC(=C1)C)C |
| InChIKey | ZRJNQRHSLVSHNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethyl-2-n-butylbenzene (CAS 1601-71-4), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 2-butyl-1,4-dimethylbenzene.
Chemical Property Profile of 1,4-Dimethyl-2-n-butylbenzene
Property Insights of 1,4-Dimethyl-2-n-butylbenzene
The XLogP value of 4.5 indicates that 1,4-Dimethyl-2-n-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dimethyl-2-n-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-2-n-butylbenzene 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 1,4-Dimethyl-2-n-butylbenzene?
The CAS number of 1,4-Dimethyl-2-n-butylbenzene is 1601-71-4.
What is the molecular formula of 1,4-Dimethyl-2-n-butylbenzene?
The molecular formula of 1,4-Dimethyl-2-n-butylbenzene is C12H18.
What is the molecular weight of 1,4-Dimethyl-2-n-butylbenzene?
The molecular weight of 1,4-Dimethyl-2-n-butylbenzene is 162.14 g/mol.
Where can I buy 1,4-Dimethyl-2-n-butylbenzene?
You can request a quote for 1,4-Dimethyl-2-n-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-2-n-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-2-n-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.