4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-
TL;DR: 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- (CAS 40311-00-0) 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.
3-hydroxy-2-propan-2-ylpyran-4-one
Also Known As: Isopropylmaltol, 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-, 3-hydroxy-2-propan-2-ylpyran-4-one, 3-hydroxy-2-propan-2-yl-pyran-4-one, 3-Hydroxy-2-(propan-2-yl)-4H-pyran-4-one
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 40311-00-0 |
|---|---|
| SMILES | CC(C)C1=C(C(=O)C=CO1)O |
| InChIKey | ONIMUPYFIMWJFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- (CAS 40311-00-0), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 3-hydroxy-2-propan-2-ylpyran-4-one.
Chemical Property Profile of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-
Property Insights of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-. With a topological polar surface area (TPSA) of 46.5 Ų, 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- 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 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-?
The CAS number of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- is 40311-00-0.
What is the molecular formula of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-?
The molecular formula of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- is C8H10O3.
What is the molecular weight of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-?
The molecular weight of 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- is 154.06 g/mol.
Where can I buy 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-?
You can request a quote for 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.