![Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate structure](/static/products/1027/10271-27-9.webp)
Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate
TL;DR: Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate (CAS 10271-27-9) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-nitroanilino)diazenyl]acetate
Also Known As: ethyl 2-[(4-nitroanilino)diazenyl]acetate, 4a-Methyl-4,4a,5,6-tetrahydro-3H-naphthalin-2-on, Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate, Acetic acid,[3-(4-nitrophenyl)-1-triazenyl]-, ethyl ester (9CI), Acetic acid, [3-(4-nitrophenyl)-1-triazenyl]-, ethyl ester (9CI)
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 10271-27-9 |
|---|---|
| SMILES | CCOC(=O)CN=NNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KWZDILDLBZZLQT-UHFFFAOYSA-N |
Product Overview
Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate (CAS 10271-27-9), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: ethyl 2-[(4-nitroanilino)diazenyl]acetate.
Chemical Property Profile of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate
Property Insights of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate has 1 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 Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate?
The CAS number of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate is 10271-27-9.
What is the molecular formula of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate?
The molecular formula of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate is C10H12N4O4.
What is the molecular weight of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate?
The molecular weight of Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate is 252.09 g/mol.
Where can I buy Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate?
You can request a quote for Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(1E)-3-(4-nitrophenyl)triaz-1-en-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.