2-Acetyl-4-methylcyclopent-4-ene-1,3-dione
TL;DR: 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione (CAS 4056-72-8) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-4-methylcyclopent-4-ene-1,3-dione
Also Known As: 2-acetyl-4-methylcyclopent-4-ene-1,3-dione, 2-acetyl-4-methylcyclopentene-1,3-dione, 2-acetyl-4-methyl-4-cyclopentene-1,3-dione, 5-acetyl-2-methyl-cyclopent-2-ene-1,4-dione, 4-Cyclopentene-1,3-dione, 2-acetyl-4-methyl-
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.2897 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 273.06177 |
Chemical Identifiers
| CAS Number | 4056-72-8 |
|---|---|
| SMILES | CC1=CC(=O)C(C1=O)C(=O)C |
Product Overview
2-Acetyl-4-methylcyclopent-4-ene-1,3-dione (CAS 4056-72-8), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2-acetyl-4-methylcyclopent-4-ene-1,3-dione.
Chemical Property Profile of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione
Property Insights of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione
The XLogP value of 0.2897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione. With a topological polar surface area (TPSA) of 51.21 Ų, 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione 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-Acetyl-4-methylcyclopent-4-ene-1,3-dione?
The CAS number of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione is 4056-72-8.
What is the molecular formula of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione?
The molecular formula of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione is C8H8O3.
What is the molecular weight of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione?
The molecular weight of 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione is 152.05 g/mol.
Where can I buy 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione?
You can request a quote for 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-methylcyclopent-4-ene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.