(2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate
TL;DR: (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate (CAS 135626-21-0) is a chemical compound with molecular formula C15H16O6 and molecular weight 292.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate
Also Known As: 7-Hydroxy-6-hydromelodienone, (2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate, 2-hydroxy-7-methoxy-4,7-dioxohept-5-en-1-yl benzoate, [(E,2S)-2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl] benzoate
Technical Specifications
| Molecular Formula | C15H16O6 |
| Molecular Weight | 292.0947 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.0947 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | COC(=O)C=CC(=O)CC(COC(=O)C1=CC=CC=C1)O |
| InChIKey | DLQZZFILZYWBJV-UHFFFAOYSA-N |
Chemical Property Profile of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate
Property Insights of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate. Following Lipinski's Rule of Five, (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate?
The CAS number of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate is 135626-21-0.
What is the molecular formula of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate?
The molecular formula of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate is C15H16O6.
What is the molecular weight of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate?
The molecular weight of (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate is 292.0947 g/mol.
Where can I buy (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate?
You can request a quote for (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate?
Yes, CoreyChem provides custom synthesis services for (2-Hydroxy-7-methoxy-4,7-dioxohept-5-enyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.