1,3-Cyclopentanedione, 2-acetyl-4-methyl-
TL;DR: 1,3-Cyclopentanedione, 2-acetyl-4-methyl- (CAS 4056-69-3) 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.
2-acetyl-4-methylcyclopentane-1,3-dione
Also Known As: 2-acetyl-4-methylcyclopentane-1,3-dione, 2-Acetyl-4-methyl-1,3-cyclopentanedione, 1,3-Cyclopentanedione, 2-acetyl-4-methyl-, 2-Acetyl-4-methyl-1,3-cyclopentanedione #
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 4056-69-3 |
|---|---|
| SMILES | CC1CC(=O)C(C1=O)C(=O)C |
| InChIKey | ZQMAMTUSOZNVQR-UHFFFAOYSA-N |
Product Overview
1,3-Cyclopentanedione, 2-acetyl-4-methyl- (CAS 4056-69-3), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 2-acetyl-4-methylcyclopentane-1,3-dione.
Chemical Property Profile of 1,3-Cyclopentanedione, 2-acetyl-4-methyl-
Property Insights of 1,3-Cyclopentanedione, 2-acetyl-4-methyl-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclopentanedione, 2-acetyl-4-methyl-. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3-Cyclopentanedione, 2-acetyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclopentanedione, 2-acetyl-4-methyl- 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 1,3-Cyclopentanedione, 2-acetyl-4-methyl-?
The CAS number of 1,3-Cyclopentanedione, 2-acetyl-4-methyl- is 4056-69-3.
What is the molecular formula of 1,3-Cyclopentanedione, 2-acetyl-4-methyl-?
The molecular formula of 1,3-Cyclopentanedione, 2-acetyl-4-methyl- is C8H10O3.
What is the molecular weight of 1,3-Cyclopentanedione, 2-acetyl-4-methyl-?
The molecular weight of 1,3-Cyclopentanedione, 2-acetyl-4-methyl- is 154.06 g/mol.
Where can I buy 1,3-Cyclopentanedione, 2-acetyl-4-methyl-?
You can request a quote for 1,3-Cyclopentanedione, 2-acetyl-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclopentanedione, 2-acetyl-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentanedione, 2-acetyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.