Isobutyrophenone
TL;DR: Isobutyrophenone (CAS 611-70-1) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-phenylpropan-1-one
Also Known As: Isobutyrophenone, 2-methyl-1-phenylpropan-1-one, Isopropyl phenyl ketone, Phenyl isopropyl ketone, 2-Methylpropiophenone
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 611-70-1 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC=CC=C1 |
| InChIKey | BSMGLVDZZMBWQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyrophenone (CAS 611-70-1), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 2-methyl-1-phenylpropan-1-one.
Chemical Property Profile of Isobutyrophenone
Property Insights of Isobutyrophenone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyrophenone. With a topological polar surface area (TPSA) of 17.1 Ų, Isobutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyrophenone 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 Isobutyrophenone?
The CAS number of Isobutyrophenone is 611-70-1.
What is the molecular formula of Isobutyrophenone?
The molecular formula of Isobutyrophenone is C10H12O.
What is the molecular weight of Isobutyrophenone?
The molecular weight of Isobutyrophenone is 148.09 g/mol.
Where can I buy Isobutyrophenone?
You can request a quote for Isobutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for Isobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.