Naphthalen-1-yl 3-nitrobenzoate
TL;DR: Naphthalen-1-yl 3-nitrobenzoate (CAS 5221-75-0) is a chemical compound with molecular formula C17H11NO4 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 3-nitrobenzoate
Also Known As: naphthalen-1-yl 3-nitrobenzoate, 1-naphthyl 3-nitrobenzoate, naphthyl 3-nitrobenzoate, BIM-0014337.P001
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.06882 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 5221-75-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | HCOVQZMTFULNHV-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-yl 3-nitrobenzoate (CAS 5221-75-0), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: naphthalen-1-yl 3-nitrobenzoate.
Chemical Property Profile of Naphthalen-1-yl 3-nitrobenzoate
Property Insights of Naphthalen-1-yl 3-nitrobenzoate
The XLogP value of 4.3 indicates that Naphthalen-1-yl 3-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 Naphthalen-1-yl 3-nitrobenzoate. Following Lipinski's Rule of Five, Naphthalen-1-yl 3-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 Naphthalen-1-yl 3-nitrobenzoate?
The CAS number of Naphthalen-1-yl 3-nitrobenzoate is 5221-75-0.
What is the molecular formula of Naphthalen-1-yl 3-nitrobenzoate?
The molecular formula of Naphthalen-1-yl 3-nitrobenzoate is C17H11NO4.
What is the molecular weight of Naphthalen-1-yl 3-nitrobenzoate?
The molecular weight of Naphthalen-1-yl 3-nitrobenzoate is 293.07 g/mol.
Where can I buy Naphthalen-1-yl 3-nitrobenzoate?
You can request a quote for Naphthalen-1-yl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-yl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.