4-Acetyltropolone
TL;DR: 4-Acetyltropolone (CAS 1738-16-5) 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.
6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 4-acetyltropolone, 6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one, 4-Acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-Cycloheptatrien-1-one, 4-acetyl-2-hydroxy-, J1.398.642H
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 1738-16-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=O)C(=CC=C1)O |
| InChIKey | YXAHHYHNIJIRDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetyltropolone (CAS 1738-16-5), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4-Acetyltropolone
Property Insights of 4-Acetyltropolone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyltropolone. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Acetyltropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyltropolone has 1 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 4-Acetyltropolone?
The CAS number of 4-Acetyltropolone is 1738-16-5.
What is the molecular formula of 4-Acetyltropolone?
The molecular formula of 4-Acetyltropolone is C9H8O3.
What is the molecular weight of 4-Acetyltropolone?
The molecular weight of 4-Acetyltropolone is 164.05 g/mol.
Where can I buy 4-Acetyltropolone?
You can request a quote for 4-Acetyltropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyltropolone?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyltropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.