苯戊酮
TL;DR: 苯戊酮 (CAS 1009-14-9) 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.
苯戊酮
1-phenylpentan-1-one
Also Known As: Valerophenone, 1-phenylpentan-1-one, Butyl phenyl ketone, Pentanophenone, 1-Pentanone, 1-phenyl-
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
| Melting Point | -9.4 °C |
| Boiling Point | 245.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 1009-14-9 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=CC=C1 |
| InChIKey | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯戊酮 (CAS 1009-14-9), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 1-phenylpentan-1-one.
Chemical Property Profile of 苯戊酮
Property Insights of 苯戊酮
The XLogP value of 3.0 indicates that 苯戊酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 苯戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯戊酮 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 苯戊酮?
The CAS number of 苯戊酮 is 1009-14-9.
What is the molecular formula of 苯戊酮?
The molecular formula of 苯戊酮 is C11H14O.
What is the molecular weight of 苯戊酮?
The molecular weight of 苯戊酮 is 162.10 g/mol.
Where can I buy 苯戊酮?
You can request a quote for 苯戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯戊酮?
Yes, KEHONG BIO provides custom synthesis services for 苯戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.