2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- (CAS 5349-42-8) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxocyclohepta-1,3,5-trien-1-yl) acetate
Also Known As: 2-Acetoxytropone, Tropolone, acetate, Tropolone=acetate, 2-Acetoxy-cycloheptatrienon, 2-(Acetyloxy)-2,4,6-cycloheptatrien-1-one
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5349-42-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=CC1=O |
| InChIKey | RCRHNSUOQUMQQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- (CAS 5349-42-8), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl) acetate.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-. With a topological polar surface area (TPSA) of 43.4 Ų, 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- 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 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- is 5349-42-8.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- is C9H8O3.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- is 164.05 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.