2-Hexanone, 6-phenyl-
TL;DR: 2-Hexanone, 6-phenyl- (CAS 14171-89-2) 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.
6-phenylhexan-2-one
Also Known As: 6-Phenylhexan-2-one, 2-Hexanone, 6-phenyl-, 6-phenyl-hexan-2-one, 6-PHENYL-2-HEXANONE, 1-Phenylhexane-5-one
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.9 |
| 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 | 14171-89-2 |
|---|---|
| SMILES | CC(=O)CCCCC1=CC=CC=C1 |
| InChIKey | RVHCOKLJDUVNOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexanone, 6-phenyl- (CAS 14171-89-2), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 6-phenylhexan-2-one.
Chemical Property Profile of 2-Hexanone, 6-phenyl-
Property Insights of 2-Hexanone, 6-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexanone, 6-phenyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Hexanone, 6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexanone, 6-phenyl- 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 2-Hexanone, 6-phenyl-?
The CAS number of 2-Hexanone, 6-phenyl- is 14171-89-2.
What is the molecular formula of 2-Hexanone, 6-phenyl-?
The molecular formula of 2-Hexanone, 6-phenyl- is C12H16O.
What is the molecular weight of 2-Hexanone, 6-phenyl-?
The molecular weight of 2-Hexanone, 6-phenyl- is 176.12 g/mol.
Where can I buy 2-Hexanone, 6-phenyl-?
You can request a quote for 2-Hexanone, 6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexanone, 6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexanone, 6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.