2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate
TL;DR: 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate (CAS 39582-06-4) is a chemical compound with molecular formula C19H16O4 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,8-dimethyl-4-oxo-3-phenylchromen-7-yl) acetate
Also Known As: 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate, 7-Acetoxy-2,8-dimethylisoflavon, 7-acetoxy-2,8-dimethylisoflavone, (2,8-dimethyl-4-oxo-3-phenylchromen-7-yl) acetate, 7-acetoxy-2,8-dimethyl-3-phenyl-chromen-4-one
| Molecular Formula | C19H16O4 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.10486 |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 39582-06-4 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3)C)OC(=O)C |
| InChIKey | URNHOZHUSNFEBU-UHFFFAOYSA-N |
Product Overview
2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate (CAS 39582-06-4), with molecular formula C19H16O4 and molecular weight 308.10 g/mol. IUPAC: (2,8-dimethyl-4-oxo-3-phenylchromen-7-yl) acetate.
Chemical Property Profile of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate
Property Insights of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate
The XLogP value of 3.7 indicates that 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate has 0 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 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate?
The CAS number of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate is 39582-06-4.
What is the molecular formula of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate?
The molecular formula of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate is C19H16O4.
What is the molecular weight of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate?
The molecular weight of 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate is 308.10 g/mol.
Where can I buy 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate?
You can request a quote for 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,8-dimethyl-4-oxo-3-phenyl-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.