(3-Oxocyclohexen-1-yl) benzoate
TL;DR: (3-Oxocyclohexen-1-yl) benzoate (CAS 66049-39-6) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxocyclohexen-1-yl) benzoate
Also Known As: (3-oxocyclohexen-1-yl) benzoate, 3-Oxo-1-cyclohexenyl benzoate, 3-Benzoyloxy-2-cyclohexenon, 3-oxocyclohex-1-en-1-yl benzoate, 3-benzoyloxy-2-cyclohexen-1-one
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.4803 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 431.75073 |
Chemical Identifiers
| CAS Number | 66049-39-6 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)OC(=O)C2=CC=CC=C2 |
Product Overview
(3-Oxocyclohexen-1-yl) benzoate (CAS 66049-39-6), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: (3-oxocyclohexen-1-yl) benzoate.
Chemical Property Profile of (3-Oxocyclohexen-1-yl) benzoate
Property Insights of (3-Oxocyclohexen-1-yl) benzoate
The XLogP value of 2.4803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Oxocyclohexen-1-yl) benzoate. With a topological polar surface area (TPSA) of 43.37 Ų, (3-Oxocyclohexen-1-yl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Oxocyclohexen-1-yl) benzoate has 0 hydrogen bond donor(s) and 3 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 (3-Oxocyclohexen-1-yl) benzoate?
The CAS number of (3-Oxocyclohexen-1-yl) benzoate is 66049-39-6.
What is the molecular formula of (3-Oxocyclohexen-1-yl) benzoate?
The molecular formula of (3-Oxocyclohexen-1-yl) benzoate is C13H12O3.
What is the molecular weight of (3-Oxocyclohexen-1-yl) benzoate?
The molecular weight of (3-Oxocyclohexen-1-yl) benzoate is 216.08 g/mol.
Where can I buy (3-Oxocyclohexen-1-yl) benzoate?
You can request a quote for (3-Oxocyclohexen-1-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Oxocyclohexen-1-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxocyclohexen-1-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.