(3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione
TL;DR: (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione (CAS 368876-44-2) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-hydroxy-4-methylpyran-2-one
Also Known As: 5-acetyl-6-hydroxy-4-methylpyran-2-one, 2H-Pyran-2,6 -dione,3- -4-methyl-, -, (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione, (3Z)-3-(1-hydroxyethylidene)-4-methylpyran-2,6-dione, 2H-Pyran-2,6(3H)-dione, 3-(1-hydroxyethylidene)-4-methyl-, (3Z)- (9CI)
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 368876-44-2 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)C)O |
| InChIKey | HURSXDKEYMJYED-UHFFFAOYSA-N |
Product Overview
(3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione (CAS 368876-44-2), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 5-acetyl-6-hydroxy-4-methylpyran-2-one.
Chemical Property Profile of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione
Property Insights of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione. Following Lipinski's Rule of Five, (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione has 1 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 (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione?
The CAS number of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione is 368876-44-2.
What is the molecular formula of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione?
The molecular formula of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione is C8H8O4.
What is the molecular weight of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione?
The molecular weight of (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione is 168.04 g/mol.
Where can I buy (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione?
You can request a quote for (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.