2-Cyclopenten-1-one, 3-methyl-2-phenyl-
TL;DR: 2-Cyclopenten-1-one, 3-methyl-2-phenyl- (CAS 50397-92-7) 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.
3-methyl-2-phenylcyclopent-2-en-1-one
Also Known As: 3-methyl-2-phenylcyclopent-2-en-1-one, 2-Cyclopenten-1-one, 3-methyl-2-phenyl-, 2-Cyclopenten-1-one,3-methyl-2-phenyl, 3-Methyl-2-phenyl-2-cyclopenten-1-one, 1-Methyl-2-phenyl-1-cyclopentene-3-one
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 50397-92-7 |
|---|---|
| SMILES | CC1=C(C(=O)CC1)C2=CC=CC=C2 |
| InChIKey | OKIYRMQBCLCTCE-UHFFFAOYSA-N |
Product Overview
2-Cyclopenten-1-one, 3-methyl-2-phenyl- (CAS 50397-92-7), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: 3-methyl-2-phenylcyclopent-2-en-1-one.
Chemical Property Profile of 2-Cyclopenten-1-one, 3-methyl-2-phenyl-
Property Insights of 2-Cyclopenten-1-one, 3-methyl-2-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopenten-1-one, 3-methyl-2-phenyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclopenten-1-one, 3-methyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopenten-1-one, 3-methyl-2-phenyl- 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-Cyclopenten-1-one, 3-methyl-2-phenyl-?
The CAS number of 2-Cyclopenten-1-one, 3-methyl-2-phenyl- is 50397-92-7.
What is the molecular formula of 2-Cyclopenten-1-one, 3-methyl-2-phenyl-?
The molecular formula of 2-Cyclopenten-1-one, 3-methyl-2-phenyl- is C12H12O.
What is the molecular weight of 2-Cyclopenten-1-one, 3-methyl-2-phenyl-?
The molecular weight of 2-Cyclopenten-1-one, 3-methyl-2-phenyl- is 172.09 g/mol.
Where can I buy 2-Cyclopenten-1-one, 3-methyl-2-phenyl-?
You can request a quote for 2-Cyclopenten-1-one, 3-methyl-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopenten-1-one, 3-methyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopenten-1-one, 3-methyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.