1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate
TL;DR: 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate (CAS 55916-26-2) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-2-phenylinden-5-yl) acetate
Also Known As: 1,3-Indandione, 5-(acetyloxy)-2-phenyl-, (1,3-dioxo-2-phenylinden-5-yl) acetate, 5-(Acetyloxy)-2-phenyl-1H-indene-1,3(2H)-dione, 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate, RefChem:1052904
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.7747 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 746.6404 |
Chemical Identifiers
| CAS Number | 55916-26-2 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(C2=O)C3=CC=CC=C3 |
Product Overview
1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate (CAS 55916-26-2), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: (1,3-dioxo-2-phenylinden-5-yl) acetate.
Chemical Property Profile of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate
Property Insights of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate
The XLogP value of 2.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate. Following Lipinski's Rule of Five, 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-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 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate?
The CAS number of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate is 55916-26-2.
What is the molecular formula of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate?
The molecular formula of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate is C17H12O4.
What is the molecular weight of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate?
The molecular weight of 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate is 280.07 g/mol.
Where can I buy 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate?
You can request a quote for 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.