Octane, 3-phenyl-
TL;DR: Octane, 3-phenyl- (CAS 18335-15-4) is a chemical compound with molecular formula C14H22 and molecular weight 190.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-3-ylbenzene
Also Known As: octan-3-ylbenzene, 3-Phenyloctane, Octane, 3-phenyl-, 1-Ethylhexylbenzene, 3-phenyl octane
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 18335-15-4 |
|---|---|
| SMILES | CCCCCC(CC)C1=CC=CC=C1 |
| InChIKey | XEYWPMIXBVMRLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octane, 3-phenyl- (CAS 18335-15-4), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: octan-3-ylbenzene.
Chemical Property Profile of Octane, 3-phenyl-
Property Insights of Octane, 3-phenyl-
The XLogP value of 5.8 indicates that Octane, 3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octane, 3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane, 3-phenyl- 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 Octane, 3-phenyl-?
The CAS number of Octane, 3-phenyl- is 18335-15-4.
What is the molecular formula of Octane, 3-phenyl-?
The molecular formula of Octane, 3-phenyl- is C14H22.
What is the molecular weight of Octane, 3-phenyl-?
The molecular weight of Octane, 3-phenyl- is 190.17 g/mol.
Where can I buy Octane, 3-phenyl-?
You can request a quote for Octane, 3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane, 3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Octane, 3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.