4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-
TL;DR: 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- (CAS 33777-41-2) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-, 6-(hydroxymethyl)-2-[hydroxy(phenyl)methylidene]pyran-3,4-dione, (2Z)-6-(Hydroxymethyl)-2-[hydroxy(phenyl)methylidene]-2H-pyran-3,4-dione
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 33777-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=O)C=C(O2)CO)O |
| InChIKey | IEWFDZBYAUUDMW-UHFFFAOYSA-N |
Product Overview
4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- (CAS 33777-41-2), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 2-benzoyl-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-
Property Insights of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- has 2 hydrogen bond donor(s) and 5 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, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-?
The CAS number of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- is 33777-41-2.
What is the molecular formula of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-?
The molecular formula of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- is C13H10O5.
What is the molecular weight of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-?
The molecular weight of 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- is 246.05 g/mol.
Where can I buy 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-?
You can request a quote for 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- 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, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.