Hexylbenzene
TL;DR: Hexylbenzene (CAS 1077-16-3) 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.
hexylbenzene
Also Known As: Hexylbenzene, 1-Phenylhexane, Benzene, hexyl-, N-HEXYLBENZENE, Hexane, 1-phenyl-
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 90.0 |
| Vapor Pressure | 0.12 [mmHg] |
Chemical Identifiers
| CAS Number | 1077-16-3 |
|---|---|
| SMILES | CCCCCCC1=CC=CC=C1 |
| InChIKey | LTEQMZWBSYACLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexylbenzene (CAS 1077-16-3), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: hexylbenzene.
Chemical Property Profile of Hexylbenzene
Property Insights of Hexylbenzene
The XLogP value of 5.5 indicates that Hexylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexylbenzene 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 Hexylbenzene?
The CAS number of Hexylbenzene is 1077-16-3.
What is the molecular formula of Hexylbenzene?
The molecular formula of Hexylbenzene is C12H18.
What is the molecular weight of Hexylbenzene?
The molecular weight of Hexylbenzene is 162.14 g/mol.
Where can I buy Hexylbenzene?
You can request a quote for Hexylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Hexylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.