4-苯基戊-2-酮
TL;DR: 4-苯基戊-2-酮 (CAS 17913-10-9) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯基戊-2-酮
4-phenylpentan-2-one
Also Known As: 4-Phenylpentan-2-one, 2-Pentanone, 4-phenyl-, 4-phenyl-2-pentanone, 4-phenyl-pentan-2-one, 4-Phenylpentane-2-one
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 17913-10-9 |
|---|---|
| SMILES | CC(CC(=O)C)C1=CC=CC=C1 |
| InChIKey | SYOVWIRLZABVDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯基戊-2-酮 (CAS 17913-10-9), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 4-phenylpentan-2-one.
Chemical Property Profile of 4-苯基戊-2-酮
Property Insights of 4-苯基戊-2-酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基戊-2-酮. With a topological polar surface area (TPSA) of 17.1 Ų, 4-苯基戊-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯基戊-2-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 4-苯基戊-2-酮?
The CAS number of 4-苯基戊-2-酮 is 17913-10-9.
What is the molecular formula of 4-苯基戊-2-酮?
The molecular formula of 4-苯基戊-2-酮 is C11H14O.
What is the molecular weight of 4-苯基戊-2-酮?
The molecular weight of 4-苯基戊-2-酮 is 162.10 g/mol.
Where can I buy 4-苯基戊-2-酮?
You can request a quote for 4-苯基戊-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基戊-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基戊-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.