1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one
TL;DR: 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one (CAS 85187-14-0) is a chemical compound with molecular formula C18H22O and molecular weight 254.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one
Also Known As: 1-Phenyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-one, 1-phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one, 2-Buten-1-one,1-phenyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
| Molecular Formula | C18H22O |
|---|---|
| Molecular Weight | 254.17 g/mol |
| LogP | 4.808 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.16707 |
| Heavy Atoms | 19 |
| Complexity | 505.75165 |
Chemical Identifiers
| CAS Number | 85187-14-0 |
|---|---|
| SMILES | CC1=CCC(C1(C)C)CC=CC(=O)C2=CC=CC=C2 |
Product Overview
1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one (CAS 85187-14-0), with molecular formula C18H22O and molecular weight 254.17 g/mol. IUPAC: 1-phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one.
Chemical Property Profile of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one
Property Insights of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one
The XLogP value of 4.808 indicates that 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-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-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one?
The CAS number of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one is 85187-14-0.
What is the molecular formula of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one?
The molecular formula of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one is C18H22O.
What is the molecular weight of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one?
The molecular weight of 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one is 254.17 g/mol.
Where can I buy 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one?
You can request a quote for 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-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-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.