1-Naphthyl 3,5-dinitrobenzoate
TL;DR: 1-Naphthyl 3,5-dinitrobenzoate (CAS 93261-39-3) is a chemical compound with molecular formula C17H10N2O6 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 3,5-dinitrobenzoate
Also Known As: 1-naphthyl 3,5-dinitrobenzoate, naphthalen-1-yl 3,5-dinitrobenzoate, napthalen-1-yl 3,5-dinitrobenzoate, naphthyl-3,5-dinitro-benzoate, 1-(3,5-dinitrobenzoate)1-naphthalenol
| Molecular Formula | C17H10N2O6 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.8754 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0539 |
| Heavy Atoms | 25 |
| Complexity | 977.4456 |
Chemical Identifiers
| CAS Number | 93261-39-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-Naphthyl 3,5-dinitrobenzoate (CAS 93261-39-3), with molecular formula C17H10N2O6 and molecular weight 338.05 g/mol. IUPAC: naphthalen-1-yl 3,5-dinitrobenzoate.
Chemical Property Profile of 1-Naphthyl 3,5-dinitrobenzoate
Property Insights of 1-Naphthyl 3,5-dinitrobenzoate
The XLogP value of 3.8754 indicates that 1-Naphthyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 1-Naphthyl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 6 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 1-Naphthyl 3,5-dinitrobenzoate?
The CAS number of 1-Naphthyl 3,5-dinitrobenzoate is 93261-39-3.
What is the molecular formula of 1-Naphthyl 3,5-dinitrobenzoate?
The molecular formula of 1-Naphthyl 3,5-dinitrobenzoate is C17H10N2O6.
What is the molecular weight of 1-Naphthyl 3,5-dinitrobenzoate?
The molecular weight of 1-Naphthyl 3,5-dinitrobenzoate is 338.05 g/mol.
Where can I buy 1-Naphthyl 3,5-dinitrobenzoate?
You can request a quote for 1-Naphthyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.