1-Ethyl-4-isobutylbenzene
TL;DR: 1-Ethyl-4-isobutylbenzene (CAS 100319-40-2) 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.
1-ethyl-4-(2-methylpropyl)benzene
Also Known As: 1-Ethyl-4-isobutylbenzene, 1-ethyl-4-(2-methylpropyl)benzene, p-Isobutylethylbenzene, Ibuprofen Impurity 28, 4-isobutylphenylethyl
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.3 |
| 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 | 107.0 |
Chemical Identifiers
| CAS Number | 100319-40-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CC(C)C |
| InChIKey | FMHWAAZOTFVMKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-4-isobutylbenzene (CAS 100319-40-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1-ethyl-4-(2-methylpropyl)benzene.
Chemical Property Profile of 1-Ethyl-4-isobutylbenzene
Property Insights of 1-Ethyl-4-isobutylbenzene
The XLogP value of 4.3 indicates that 1-Ethyl-4-isobutylbenzene 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-Ethyl-4-isobutylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-4-isobutylbenzene 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-Ethyl-4-isobutylbenzene?
The CAS number of 1-Ethyl-4-isobutylbenzene is 100319-40-2.
What is the molecular formula of 1-Ethyl-4-isobutylbenzene?
The molecular formula of 1-Ethyl-4-isobutylbenzene is C12H18.
What is the molecular weight of 1-Ethyl-4-isobutylbenzene?
The molecular weight of 1-Ethyl-4-isobutylbenzene is 162.14 g/mol.
Where can I buy 1-Ethyl-4-isobutylbenzene?
You can request a quote for 1-Ethyl-4-isobutylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-isobutylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-isobutylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.