3-Acetoxy-2-cyclohexen-1-one
TL;DR: 3-Acetoxy-2-cyclohexen-1-one (CAS 57918-73-7) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxocyclohexen-1-yl) acetate
Also Known As: 3-ACETOXY-2-CYCLOHEXEN-1-ONE, 3-Oxocyclohex-1-en-1-yl acetate, (3-oxocyclohexen-1-yl) acetate, 3-oxocyclohex-1-enyl acetate, 3-Oxocyclohex-1-en-1-ylacetate
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.1864 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 215.37706 |
Chemical Identifiers
| CAS Number | 57918-73-7 |
|---|---|
| SMILES | CC(=O)OC1=CC(=O)CCC1 |
Product Overview
3-Acetoxy-2-cyclohexen-1-one (CAS 57918-73-7), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: (3-oxocyclohexen-1-yl) acetate.
Chemical Property Profile of 3-Acetoxy-2-cyclohexen-1-one
Property Insights of 3-Acetoxy-2-cyclohexen-1-one
The XLogP value of 1.1864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Acetoxy-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxy-2-cyclohexen-1-one 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-Acetoxy-2-cyclohexen-1-one?
The CAS number of 3-Acetoxy-2-cyclohexen-1-one is 57918-73-7.
What is the molecular formula of 3-Acetoxy-2-cyclohexen-1-one?
The molecular formula of 3-Acetoxy-2-cyclohexen-1-one is C8H10O3.
What is the molecular weight of 3-Acetoxy-2-cyclohexen-1-one?
The molecular weight of 3-Acetoxy-2-cyclohexen-1-one is 154.06 g/mol.
Where can I buy 3-Acetoxy-2-cyclohexen-1-one?
You can request a quote for 3-Acetoxy-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.