(2-Azido-2-phenylethyl) 3,5-dinitrobenzoate
TL;DR: (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate (CAS 6335-16-6) is a chemical compound with molecular formula C15H11N5O6 and molecular weight 357.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-azido-2-phenylethyl) 3,5-dinitrobenzoate
Also Known As: (2-azido-2-phenylethyl) 3,5-dinitrobenzoate, (2-azido-2-phenylethyl)3,5-dinitrobenzoate, (2-azido-2-phenyl-ethyl) 3,5-dinitrobenzoate, 2-AZIDO-2-PHENYLETHYL 3,5-DINITROBENZOATE
| Molecular Formula | C15H11N5O6 |
|---|---|
| Molecular Weight | 357.07 g/mol |
| LogP | 3.7114 |
| Topological Polar Surface Area | 161.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.07092 |
| Heavy Atoms | 26 |
| Complexity | 862.4049 |
Chemical Identifiers
| CAS Number | 6335-16-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-] |
Product Overview
(2-Azido-2-phenylethyl) 3,5-dinitrobenzoate (CAS 6335-16-6), with molecular formula C15H11N5O6 and molecular weight 357.07 g/mol. IUPAC: (2-azido-2-phenylethyl) 3,5-dinitrobenzoate.
Chemical Property Profile of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate
Property Insights of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate
The XLogP value of 3.7114 indicates that (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.34 Ų indicates high polarity, suggesting (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 7 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-Azido-2-phenylethyl) 3,5-dinitrobenzoate?
The CAS number of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate is 6335-16-6.
What is the molecular formula of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate?
The molecular formula of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate is C15H11N5O6.
What is the molecular weight of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate?
The molecular weight of (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate is 357.07 g/mol.
Where can I buy (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate?
You can request a quote for (2-Azido-2-phenylethyl) 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 (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Azido-2-phenylethyl) 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.