(2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
TL;DR: (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate (CAS 37914-50-4) is a chemical compound with molecular formula C21H14N2O4 and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
Also Known As: (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate, 2-Phenyl-1H-indol-3-yl 4-nitrobenzoate
| Molecular Formula | C21H14N2O4 |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09537 |
| Heavy Atoms | 27 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 37914-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | QFUDKDHSCXGQNZ-UHFFFAOYSA-N |
Product Overview
(2-phenyl-1H-indol-3-yl) 4-nitrobenzoate (CAS 37914-50-4), with molecular formula C21H14N2O4 and molecular weight 358.10 g/mol. IUPAC: (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate.
Chemical Property Profile of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
Property Insights of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate
The XLogP value of 4.9 indicates that (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate. Following Lipinski's Rule of Five, (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate has 1 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-phenyl-1H-indol-3-yl) 4-nitrobenzoate?
The CAS number of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate is 37914-50-4.
What is the molecular formula of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate?
The molecular formula of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate is C21H14N2O4.
What is the molecular weight of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate?
The molecular weight of (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate is 358.10 g/mol.
Where can I buy (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate?
You can request a quote for (2-phenyl-1H-indol-3-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 (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-phenyl-1H-indol-3-yl) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.