3-Formyl-4-oxo-4H-chromen-7-ylacetate
TL;DR: 3-Formyl-4-oxo-4H-chromen-7-ylacetate (CAS 42468-65-5) is a chemical compound with molecular formula C12H8O5 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formyl-4-oxochromen-7-yl) acetate
Also Known As: 3-formyl-4-oxo-4H-chromen-7-yl acetate, 7-Acetoxy-3-formylchromone, 7-Acetoxychromone-3-carboxaldehyde, (3-formyl-4-oxochromen-7-yl) acetate, 3-formyl-4-oxochromen-7-yl acetate
| Molecular Formula | C12H8O5 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 1.5308 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03717 |
| Heavy Atoms | 17 |
| Complexity | 653.4838 |
Chemical Identifiers
| CAS Number | 42468-65-5 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C=O |
Product Overview
3-Formyl-4-oxo-4H-chromen-7-ylacetate (CAS 42468-65-5), with molecular formula C12H8O5 and molecular weight 232.04 g/mol. IUPAC: (3-formyl-4-oxochromen-7-yl) acetate.
Chemical Property Profile of 3-Formyl-4-oxo-4H-chromen-7-ylacetate
Property Insights of 3-Formyl-4-oxo-4H-chromen-7-ylacetate
The XLogP value of 1.5308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formyl-4-oxo-4H-chromen-7-ylacetate. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formyl-4-oxo-4H-chromen-7-ylacetate. Following Lipinski's Rule of Five, 3-Formyl-4-oxo-4H-chromen-7-ylacetate has 0 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 3-Formyl-4-oxo-4H-chromen-7-ylacetate?
The CAS number of 3-Formyl-4-oxo-4H-chromen-7-ylacetate is 42468-65-5.
What is the molecular formula of 3-Formyl-4-oxo-4H-chromen-7-ylacetate?
The molecular formula of 3-Formyl-4-oxo-4H-chromen-7-ylacetate is C12H8O5.
What is the molecular weight of 3-Formyl-4-oxo-4H-chromen-7-ylacetate?
The molecular weight of 3-Formyl-4-oxo-4H-chromen-7-ylacetate is 232.04 g/mol.
Where can I buy 3-Formyl-4-oxo-4H-chromen-7-ylacetate?
You can request a quote for 3-Formyl-4-oxo-4H-chromen-7-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formyl-4-oxo-4H-chromen-7-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formyl-4-oxo-4H-chromen-7-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.