N-(2,4,6-Trinitrophenyl)-O-phenetidine
TL;DR: N-(2,4,6-Trinitrophenyl)-O-phenetidine (CAS 60519-14-4) is a chemical compound with molecular formula C14H12N4O7 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethoxyphenyl)-2,4,6-trinitroaniline
Also Known As: N-(2,4,6-TRINITROPHENYL)-O-PHENETIDINE, N-(2-ethoxyphenyl)-2,4,6-trinitroaniline, N-(2-ethoxyphenyl)-2,4,6-trinitro-aniline, 667-557-5, RefChem:823898
| Molecular Formula | C14H12N4O7 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 3.5535 |
| Topological Polar Surface Area | 150.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.0706 |
| Heavy Atoms | 25 |
| Complexity | 817.81903 |
Chemical Identifiers
| CAS Number | 60519-14-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,4,6-Trinitrophenyl)-O-phenetidine (CAS 60519-14-4), with molecular formula C14H12N4O7 and molecular weight 348.07 g/mol. IUPAC: N-(2-ethoxyphenyl)-2,4,6-trinitroaniline.
Chemical Property Profile of N-(2,4,6-Trinitrophenyl)-O-phenetidine
Property Insights of N-(2,4,6-Trinitrophenyl)-O-phenetidine
The XLogP value of 3.5535 indicates that N-(2,4,6-Trinitrophenyl)-O-phenetidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.68 Ų indicates high polarity, suggesting N-(2,4,6-Trinitrophenyl)-O-phenetidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,4,6-Trinitrophenyl)-O-phenetidine has 1 hydrogen bond donor(s) and 8 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 N-(2,4,6-Trinitrophenyl)-O-phenetidine?
The CAS number of N-(2,4,6-Trinitrophenyl)-O-phenetidine is 60519-14-4.
What is the molecular formula of N-(2,4,6-Trinitrophenyl)-O-phenetidine?
The molecular formula of N-(2,4,6-Trinitrophenyl)-O-phenetidine is C14H12N4O7.
What is the molecular weight of N-(2,4,6-Trinitrophenyl)-O-phenetidine?
The molecular weight of N-(2,4,6-Trinitrophenyl)-O-phenetidine is 348.07 g/mol.
Where can I buy N-(2,4,6-Trinitrophenyl)-O-phenetidine?
You can request a quote for N-(2,4,6-Trinitrophenyl)-O-phenetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,6-Trinitrophenyl)-O-phenetidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,6-Trinitrophenyl)-O-phenetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.