![Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate structure](/static/products/2998/29980-70-9.webp)
Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate
TL;DR: Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate (CAS 29980-70-9) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-nitroanilino)diazenyl]benzoate
Also Known As: methyl 2-[(4-nitroanilino)diazenyl]benzoate, methyl 2-[(1e)-3-(4-nitrophenyl)triaz-1-en-1-yl]benzoate, METHYL 2-[3-(4-NITROPHENYL)TRIAZ-1-EN-1-YL]BENZOATE, Benzoic acid,2-[3-(4-nitrophenyl)-2-triazen-1-yl]-, methyl ester
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 29980-70-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N=NNC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | VJUYEBQVWLKJCG-UHFFFAOYSA-N |
Product Overview
Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate (CAS 29980-70-9), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: methyl 2-[(4-nitroanilino)diazenyl]benzoate.
Chemical Property Profile of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate
Property Insights of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate
The XLogP value of 3.8 indicates that Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate. Following Lipinski's Rule of Five, Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate 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 Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate?
The CAS number of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate is 29980-70-9.
What is the molecular formula of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate?
The molecular formula of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate is C14H12N4O4.
What is the molecular weight of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate?
The molecular weight of Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate is 300.09 g/mol.
Where can I buy Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate?
You can request a quote for Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(4-nitrophenyl)triaz-1-EN-1-YL]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.