2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
TL;DR: 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- (CAS 5451-71-8) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-propan-2-ylpyran-2-one
Also Known As: 4-methyl-6-propan-2-ylpyran-2-one, 6-Isopropyl-4-methyl-alpha-pyrone, 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-, 4-Methyl-6-(1-methylethyl)-2H-pyran-2-one, 6-isopropyl-4-methyl-2h-pyran-2-one
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 5451-71-8 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1)C(C)C |
| InChIKey | YYWNAZJLTICGGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- (CAS 5451-71-8), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 4-methyl-6-propan-2-ylpyran-2-one.
Chemical Property Profile of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
Property Insights of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- has 0 hydrogen bond donor(s) and 2 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 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-?
The CAS number of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- is 5451-71-8.
What is the molecular formula of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-?
The molecular formula of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- is C9H12O2.
What is the molecular weight of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-?
The molecular weight of 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- is 152.08 g/mol.
Where can I buy 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-?
You can request a quote for 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.