5-苯基-2-己酮
TL;DR: 5-苯基-2-己酮 (CAS 18216-74-5) 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.
5-苯基-2-己酮
5-phenylhexan-2-one
Also Known As: 5-Phenylhexan-2-one, 2-Hexanone, 5-phenyl-, 5-Phenyl-2-hexanone, 5-phenyl-hexan-2-one, 5-Methyl-5-phenylpentane-2-one
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 18216-74-5 |
|---|---|
| SMILES | CC(CCC(=O)C)C1=CC=CC=C1 |
| InChIKey | UBTPKYDISLNBLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-苯基-2-己酮 (CAS 18216-74-5), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 5-phenylhexan-2-one.
Chemical Property Profile of 5-苯基-2-己酮
Property Insights of 5-苯基-2-己酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-苯基-2-己酮. With a topological polar surface area (TPSA) of 17.1 Ų, 5-苯基-2-己酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苯基-2-己酮 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 5-苯基-2-己酮?
The CAS number of 5-苯基-2-己酮 is 18216-74-5.
What is the molecular formula of 5-苯基-2-己酮?
The molecular formula of 5-苯基-2-己酮 is C12H16O.
What is the molecular weight of 5-苯基-2-己酮?
The molecular weight of 5-苯基-2-己酮 is 176.12 g/mol.
Where can I buy 5-苯基-2-己酮?
You can request a quote for 5-苯基-2-己酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苯基-2-己酮?
Yes, KEHONG BIO provides custom synthesis services for 5-苯基-2-己酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.