1H-inden-1-yl 4-nitrobenzoate
TL;DR: 1H-inden-1-yl 4-nitrobenzoate (CAS 53820-86-3) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-inden-1-yl 4-nitrobenzoate
Also Known As: 1H-inden-1-yl 4-nitrobenzoate
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 53820-86-3 |
|---|---|
| SMILES | C1=CC=C2C(C=CC2=C1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | QVHAYQRUCOORPJ-UHFFFAOYSA-N |
Product Overview
1H-inden-1-yl 4-nitrobenzoate (CAS 53820-86-3), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 1H-inden-1-yl 4-nitrobenzoate.
Chemical Property Profile of 1H-inden-1-yl 4-nitrobenzoate
Property Insights of 1H-inden-1-yl 4-nitrobenzoate
The XLogP value of 3.7 indicates that 1H-inden-1-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-inden-1-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 1H-inden-1-yl 4-nitrobenzoate 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 1H-inden-1-yl 4-nitrobenzoate?
The CAS number of 1H-inden-1-yl 4-nitrobenzoate is 53820-86-3.
What is the molecular formula of 1H-inden-1-yl 4-nitrobenzoate?
The molecular formula of 1H-inden-1-yl 4-nitrobenzoate is C16H11NO4.
What is the molecular weight of 1H-inden-1-yl 4-nitrobenzoate?
The molecular weight of 1H-inden-1-yl 4-nitrobenzoate is 281.07 g/mol.
Where can I buy 1H-inden-1-yl 4-nitrobenzoate?
You can request a quote for 1H-inden-1-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-inden-1-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1H-inden-1-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.