Isovalerophenone
TL;DR: Isovalerophenone (CAS 582-62-7) 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.
3-methyl-1-phenylbutan-1-one
Also Known As: Isovalerophenone, 3-methyl-1-phenylbutan-1-one, Isobutyl phenyl ketone, 3-Methyl-1-phenyl-1-butanone, 1-Butanone, 3-methyl-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 | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 582-62-7 |
|---|---|
| SMILES | CC(C)CC(=O)C1=CC=CC=C1 |
| InChIKey | HEOVGVNITGAUKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isovalerophenone (CAS 582-62-7), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3-methyl-1-phenylbutan-1-one.
Chemical Property Profile of Isovalerophenone
Property Insights of Isovalerophenone
The XLogP value of 3.0 indicates that Isovalerophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Isovalerophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovalerophenone 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 Isovalerophenone?
The CAS number of Isovalerophenone is 582-62-7.
What is the molecular formula of Isovalerophenone?
The molecular formula of Isovalerophenone is C11H14O.
What is the molecular weight of Isovalerophenone?
The molecular weight of Isovalerophenone is 162.10 g/mol.
Where can I buy Isovalerophenone?
You can request a quote for Isovalerophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovalerophenone?
Yes, KEHONG BIO provides custom synthesis services for Isovalerophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.