3-Phenylhexane
TL;DR: 3-Phenylhexane (CAS 4468-42-2) 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.
hexan-3-ylbenzene
Also Known As: 3-Phenylhexane, hexan-3-ylbenzene, Benzene, (1-ethylbutyl)-, Hexane, 3-phenyl-, (3-Hexyl)benzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 4468-42-2 |
|---|---|
| SMILES | CCCC(CC)C1=CC=CC=C1 |
| InChIKey | SLVCCWGFGQVDMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylhexane (CAS 4468-42-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: hexan-3-ylbenzene.
Chemical Property Profile of 3-Phenylhexane
Property Insights of 3-Phenylhexane
The XLogP value of 4.7 indicates that 3-Phenylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Phenylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylhexane 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 3-Phenylhexane?
The CAS number of 3-Phenylhexane is 4468-42-2.
What is the molecular formula of 3-Phenylhexane?
The molecular formula of 3-Phenylhexane is C12H18.
What is the molecular weight of 3-Phenylhexane?
The molecular weight of 3-Phenylhexane is 162.14 g/mol.
Where can I buy 3-Phenylhexane?
You can request a quote for 3-Phenylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylhexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.