(2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate
TL;DR: (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate (CAS 66972-35-8) is a chemical compound with molecular formula C22H15NO4 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-2-phenylinden-2-yl)methyl pyridine-3-carboxylate
Also Known As: Methylnicotinate, EINECS 266-529-6, (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate, (1,3-Dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)methyl pyridine-3-carboxylate, (1,3-dioxo-2-phenyl-inden-2-yl)methyl pyridine-3-carboxylate
| Molecular Formula | C22H15NO4 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 3.2556 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1001 |
| Heavy Atoms | 27 |
| Complexity | 993.448 |
Chemical Identifiers
| CAS Number | 66972-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)COC(=O)C4=CN=CC=C4 |
Product Overview
(2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate (CAS 66972-35-8), with molecular formula C22H15NO4 and molecular weight 357.10 g/mol. IUPAC: (1,3-dioxo-2-phenylinden-2-yl)methyl pyridine-3-carboxylate.
Chemical Property Profile of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate
Property Insights of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate
The XLogP value of 3.2556 indicates that (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate. Following Lipinski's Rule of Five, (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate 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 (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate?
The CAS number of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate is 66972-35-8.
What is the molecular formula of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate?
The molecular formula of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate is C22H15NO4.
What is the molecular weight of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate?
The molecular weight of (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate is 357.10 g/mol.
Where can I buy (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate?
You can request a quote for (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (2,3-Dihydro-1,3-dioxo-2-phenyl-1H-inden-2-yl)methyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.