3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone
TL;DR: 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone (CAS 186379-49-7) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-5-hydroxy-4,5-dimethyl-1-octylpyrrol-2-one
Also Known As: m-t21, Mt 21, HSCI1_000059, 3-acetyl-5-hydroxy-4,5-dimethyl-1-octylpyrrol-2-one, 3-acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone
Technical Specifications
| Molecular Formula | C16H27NO3 |
| Molecular Weight | 281.1991 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.1991 Da |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
| SMILES | CCCCCCCCN1C(=O)C(=C(C1(C)O)C)C(=O)C |
| InChIKey | IWFCPVZRZLDTPI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone
Property Insights of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone. With a topological polar surface area (TPSA) of 57.6 Ų, 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone 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
What is the CAS number of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone?
The CAS number of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone is 186379-49-7.
What is the molecular formula of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone?
The molecular formula of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone is C16H27NO3.
What is the molecular weight of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone?
The molecular weight of 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone is 281.1991 g/mol.
Where can I buy 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone?
You can request a quote for 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone?
Yes, CoreyChem provides custom synthesis services for 3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.