1-Cyclopropyl-3-phenylprop-2-en-1-one
TL;DR: 1-Cyclopropyl-3-phenylprop-2-en-1-one (CAS 63261-41-6) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-3-phenylprop-2-en-1-one
Also Known As: TimTec1_000437, 1-cyclopropyl-3-phenylprop-2-en-1-one, UPCMLD0ENAT0400-2948:001, 2-Propen-1-one, 1-cyclopropyl-3-phenyl-, (2E)-1-cyclopropyl-3-phenylprop-2-en-1-one
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 63261-41-6 |
|---|---|
| SMILES | C1CC1C(=O)C=CC2=CC=CC=C2 |
| InChIKey | OIPDQFASJNLEME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclopropyl-3-phenylprop-2-en-1-one (CAS 63261-41-6), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: 1-cyclopropyl-3-phenylprop-2-en-1-one.
Chemical Property Profile of 1-Cyclopropyl-3-phenylprop-2-en-1-one
Property Insights of 1-Cyclopropyl-3-phenylprop-2-en-1-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopropyl-3-phenylprop-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Cyclopropyl-3-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopropyl-3-phenylprop-2-en-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-3-phenylprop-2-en-1-one?
The CAS number of 1-Cyclopropyl-3-phenylprop-2-en-1-one is 63261-41-6.
What is the molecular formula of 1-Cyclopropyl-3-phenylprop-2-en-1-one?
The molecular formula of 1-Cyclopropyl-3-phenylprop-2-en-1-one is C12H12O.
What is the molecular weight of 1-Cyclopropyl-3-phenylprop-2-en-1-one?
The molecular weight of 1-Cyclopropyl-3-phenylprop-2-en-1-one is 172.09 g/mol.
Where can I buy 1-Cyclopropyl-3-phenylprop-2-en-1-one?
You can request a quote for 1-Cyclopropyl-3-phenylprop-2-en-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-3-phenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopropyl-3-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.