2-Naphthyl 2-nitrobenzoate
TL;DR: 2-Naphthyl 2-nitrobenzoate (CAS 41536-98-5) 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-2-yl 2-nitrobenzoate
Also Known As: 2-naphthyl 2-nitrobenzoate, naphthalen-2-yl 2-nitrobenzoate, AN-329/11903692
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 4.4 |
| 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 | 41536-98-5 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | YZJGKHQJSMRKSS-UHFFFAOYSA-N |
Product Overview
2-Naphthyl 2-nitrobenzoate (CAS 41536-98-5), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: naphthalen-2-yl 2-nitrobenzoate.
Chemical Property Profile of 2-Naphthyl 2-nitrobenzoate
Property Insights of 2-Naphthyl 2-nitrobenzoate
The XLogP value of 4.4 indicates that 2-Naphthyl 2-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 2-Naphthyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 2-Naphthyl 2-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 2-Naphthyl 2-nitrobenzoate?
The CAS number of 2-Naphthyl 2-nitrobenzoate is 41536-98-5.
What is the molecular formula of 2-Naphthyl 2-nitrobenzoate?
The molecular formula of 2-Naphthyl 2-nitrobenzoate is C17H11NO4.
What is the molecular weight of 2-Naphthyl 2-nitrobenzoate?
The molecular weight of 2-Naphthyl 2-nitrobenzoate is 293.07 g/mol.
Where can I buy 2-Naphthyl 2-nitrobenzoate?
You can request a quote for 2-Naphthyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.