3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one
TL;DR: 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one (CAS 4940-13-0) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(1-hydroxy-2-methylpropyl)pyran-4-one
Also Known As: 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one, 4H-Pyran-4-one, 3-hydroxy-2-(1-hydroxy-2-methylpropyl), 3-hydroxy-2-(1-hydroxy-2-methylpropyl)pyran-4-one, RefChem:279766
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 4940-13-0 |
|---|---|
| SMILES | CC(C)C(C1=C(C(=O)C=CO1)O)O |
| InChIKey | LEHJPVXVDQTGBS-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one (CAS 4940-13-0), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 3-hydroxy-2-(1-hydroxy-2-methylpropyl)pyran-4-one.
Chemical Property Profile of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one
Property Insights of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one. Following Lipinski's Rule of Five, 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one has 2 hydrogen bond donor(s) and 4 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 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one?
The CAS number of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one is 4940-13-0.
What is the molecular formula of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one?
The molecular formula of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one is C9H12O4.
What is the molecular weight of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one?
The molecular weight of 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one is 184.07 g/mol.
Where can I buy 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one?
You can request a quote for 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.