Hexanophenone
TL;DR: Hexanophenone (CAS 942-92-7) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylhexan-1-one
Also Known As: Hexanophenone, Caprophenone, 1-phenylhexan-1-one, n-Hexanophenone, 1-Phenyl-1-hexanone
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 942-92-7 |
|---|---|
| SMILES | CCCCCC(=O)C1=CC=CC=C1 |
| InChIKey | MAHPVQDVMLWUAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanophenone (CAS 942-92-7), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-phenylhexan-1-one.
Chemical Property Profile of Hexanophenone
Property Insights of Hexanophenone
The XLogP value of 3.5 indicates that Hexanophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Hexanophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanophenone has 0 hydrogen bond donor(s) and 1 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 Hexanophenone?
The CAS number of Hexanophenone is 942-92-7.
What is the molecular formula of Hexanophenone?
The molecular formula of Hexanophenone is C12H16O.
What is the molecular weight of Hexanophenone?
The molecular weight of Hexanophenone is 176.12 g/mol.
Where can I buy Hexanophenone?
You can request a quote for Hexanophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanophenone?
Yes, KEHONG BIO provides custom synthesis services for Hexanophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.