1-Cyclopropyl-2-phenylethan-1-one
TL;DR: 1-Cyclopropyl-2-phenylethan-1-one (CAS 14113-94-1) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-2-phenylethanone
Also Known As: 1-Cyclopropyl-2-phenylethanone, Ethanone, 1-cyclopropyl-2-phenyl-, 1-cyclopropyl-2-phenylethan-1-one, Phenylacetylcyclopropane, Benzylcyclopropylketon
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 14113-94-1 |
|---|---|
| SMILES | C1CC1C(=O)CC2=CC=CC=C2 |
| InChIKey | RXZJHESCHPMWEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclopropyl-2-phenylethan-1-one (CAS 14113-94-1), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 1-cyclopropyl-2-phenylethanone.
Chemical Property Profile of 1-Cyclopropyl-2-phenylethan-1-one
Property Insights of 1-Cyclopropyl-2-phenylethan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopropyl-2-phenylethan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Cyclopropyl-2-phenylethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopropyl-2-phenylethan-1-one 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 1-Cyclopropyl-2-phenylethan-1-one?
The CAS number of 1-Cyclopropyl-2-phenylethan-1-one is 14113-94-1.
What is the molecular formula of 1-Cyclopropyl-2-phenylethan-1-one?
The molecular formula of 1-Cyclopropyl-2-phenylethan-1-one is C11H12O.
What is the molecular weight of 1-Cyclopropyl-2-phenylethan-1-one?
The molecular weight of 1-Cyclopropyl-2-phenylethan-1-one is 160.09 g/mol.
Where can I buy 1-Cyclopropyl-2-phenylethan-1-one?
You can request a quote for 1-Cyclopropyl-2-phenylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopropyl-2-phenylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopropyl-2-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.