methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate
TL;DR: methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate (CAS 359689-92-2) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-dioxo-2-phenylinden-2-yl)acetate
Also Known As: methyl 2-(1,3-dioxo-2-phenylinden-2-yl)acetate, methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate, methyl 2-(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 359689-92-2 |
|---|---|
| SMILES | COC(=O)CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3 |
| InChIKey | LSLYZYBIGSKFKL-UHFFFAOYSA-N |
Product Overview
methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate (CAS 359689-92-2), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: methyl 2-(1,3-dioxo-2-phenylinden-2-yl)acetate.
Chemical Property Profile of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate
Property Insights of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate. Following Lipinski's Rule of Five, methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-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 methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate?
The CAS number of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate is 359689-92-2.
What is the molecular formula of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate?
The molecular formula of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate is C18H14O4.
What is the molecular weight of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate?
The molecular weight of methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate is 294.09 g/mol.
Where can I buy methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate?
You can request a quote for methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.