2-Cyclohexen-1-one, 3-benzoyl-
TL;DR: 2-Cyclohexen-1-one, 3-benzoyl- (CAS 100515-02-4) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 3-benzoyl-, 3-benzoylcyclohex-2-en-1-one, 3-Benzoyl-2-cyclohexen-1-one, 3-benzoyl-cyclohex-2-en-1-one, RefChem:259804
| Molecular Formula | C13H12O2 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 2.5487 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.08372 |
| Heavy Atoms | 15 |
| Complexity | 415.4219 |
Chemical Identifiers
| CAS Number | 100515-02-4 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)C(=O)C2=CC=CC=C2 |
Product Overview
2-Cyclohexen-1-one, 3-benzoyl- (CAS 100515-02-4), with molecular formula C13H12O2 and molecular weight 200.08 g/mol. IUPAC: 3-benzoylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-benzoyl-
Property Insights of 2-Cyclohexen-1-one, 3-benzoyl-
The XLogP value of 2.5487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-benzoyl-. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Cyclohexen-1-one, 3-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-benzoyl- has 0 hydrogen bond donor(s) and 2 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-Cyclohexen-1-one, 3-benzoyl-?
The CAS number of 2-Cyclohexen-1-one, 3-benzoyl- is 100515-02-4.
What is the molecular formula of 2-Cyclohexen-1-one, 3-benzoyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-benzoyl- is C13H12O2.
What is the molecular weight of 2-Cyclohexen-1-one, 3-benzoyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-benzoyl- is 200.08 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-benzoyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-benzoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3-benzoyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.