2-Ethylbutyrophenone
TL;DR: 2-Ethylbutyrophenone (CAS 5682-46-2) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-phenylbutan-1-one
Also Known As: 2-Ethylbutyrophenone, 2-ethyl-1-phenylbutan-1-one, alpha-Ethylbutyrophenone, 1-Butanone, 2-ethyl-1-phenyl-, 2-ethyl-1-phenyl-butan-1-one
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5682-46-2 |
|---|---|
| SMILES | CCC(CC)C(=O)C1=CC=CC=C1 |
| InChIKey | KLAMVBJBHNQYSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyrophenone (CAS 5682-46-2), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2-ethyl-1-phenylbutan-1-one.
Chemical Property Profile of 2-Ethylbutyrophenone
Property Insights of 2-Ethylbutyrophenone
The XLogP value of 3.4 indicates that 2-Ethylbutyrophenone 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-Ethylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyrophenone 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-Ethylbutyrophenone?
The CAS number of 2-Ethylbutyrophenone is 5682-46-2.
What is the molecular formula of 2-Ethylbutyrophenone?
The molecular formula of 2-Ethylbutyrophenone is C12H16O.
What is the molecular weight of 2-Ethylbutyrophenone?
The molecular weight of 2-Ethylbutyrophenone is 176.12 g/mol.
Where can I buy 2-Ethylbutyrophenone?
You can request a quote for 2-Ethylbutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.