2-Isopropyl-3-methylbutyrophenone
TL;DR: 2-Isopropyl-3-methylbutyrophenone (CAS 51556-30-0) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenyl-2-propan-2-ylbutan-1-one
Also Known As: 2-Isopropyl-3-methylbutyrophenone, 1-Butanone, 3-methyl-2-(1-methylethyl)-1-phenyl-, 3-Methyl-1-phenyl-2-(propan-2-yl)butan-1-one, 3-Methyl-2-(1-methylethyl)butyrophenone, (E)-4-(1-Naphthyl)-3-buten-2-one
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 51556-30-0 |
|---|---|
| SMILES | CC(C)C(C(C)C)C(=O)C1=CC=CC=C1 |
| InChIKey | FYQORWFOIQDIHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-3-methylbutyrophenone (CAS 51556-30-0), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 3-methyl-1-phenyl-2-propan-2-ylbutan-1-one.
Chemical Property Profile of 2-Isopropyl-3-methylbutyrophenone
Property Insights of 2-Isopropyl-3-methylbutyrophenone
The XLogP value of 4.2 indicates that 2-Isopropyl-3-methylbutyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Isopropyl-3-methylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-3-methylbutyrophenone 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 2-Isopropyl-3-methylbutyrophenone?
The CAS number of 2-Isopropyl-3-methylbutyrophenone is 51556-30-0.
What is the molecular formula of 2-Isopropyl-3-methylbutyrophenone?
The molecular formula of 2-Isopropyl-3-methylbutyrophenone is C14H20O.
What is the molecular weight of 2-Isopropyl-3-methylbutyrophenone?
The molecular weight of 2-Isopropyl-3-methylbutyrophenone is 204.15 g/mol.
Where can I buy 2-Isopropyl-3-methylbutyrophenone?
You can request a quote for 2-Isopropyl-3-methylbutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-3-methylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-3-methylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.