Benzene, (1-ethylnonyl)-
TL;DR: Benzene, (1-ethylnonyl)- (CAS 4536-87-2) is a chemical compound with molecular formula C17H28 and molecular weight 232.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecan-3-ylbenzene
Also Known As: 3-Phenylundecane, undecan-3-ylbenzene, Benzene, (1-ethylnonyl)-, Undecane, 3-phenyl-, 3-phenyl-undecane
| Molecular Formula | C17H28 |
|---|---|
| Molecular Weight | 232.22 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.2191 |
| Heavy Atoms | 17 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 4536-87-2 |
|---|---|
| SMILES | CCCCCCCCC(CC)C1=CC=CC=C1 |
| InChIKey | NVHBFHMWJJMQTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-ethylnonyl)- (CAS 4536-87-2), with molecular formula C17H28 and molecular weight 232.22 g/mol. IUPAC: undecan-3-ylbenzene.
Chemical Property Profile of Benzene, (1-ethylnonyl)-
Property Insights of Benzene, (1-ethylnonyl)-
The XLogP value of 7.4 indicates that Benzene, (1-ethylnonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1-ethylnonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-ethylnonyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, (1-ethylnonyl)-?
The CAS number of Benzene, (1-ethylnonyl)- is 4536-87-2.
What is the molecular formula of Benzene, (1-ethylnonyl)-?
The molecular formula of Benzene, (1-ethylnonyl)- is C17H28.
What is the molecular weight of Benzene, (1-ethylnonyl)-?
The molecular weight of Benzene, (1-ethylnonyl)- is 232.22 g/mol.
Where can I buy Benzene, (1-ethylnonyl)-?
You can request a quote for Benzene, (1-ethylnonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-ethylnonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-ethylnonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.