![Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate structure](/static/products/6767/676-70-0.webp)
Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate
TL;DR: Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate (CAS 676-70-0) is a chemical compound with molecular formula C14H21N3O2 and molecular weight 263.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[methyl(2-methylpropyl)amino]diazenyl]benzoate
Also Known As: ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate, ethyl 4-[[methyl(2-methylpropyl)amino]diazenyl]benzoate, Benzoic acid,4-[3-methyl-3-(2-methylpropyl)-1-triazen-1-yl]-, ethyl ester
| Molecular Formula | C14H21N3O2 |
|---|---|
| Molecular Weight | 263.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.1634 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 676-70-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NN(C)CC(C)C |
| InChIKey | CSWFYXGAKRMLOJ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate (CAS 676-70-0), with molecular formula C14H21N3O2 and molecular weight 263.16 g/mol. IUPAC: ethyl 4-[[methyl(2-methylpropyl)amino]diazenyl]benzoate.
Chemical Property Profile of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate
Property Insights of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate
The XLogP value of 5.0 indicates that Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate has 0 hydrogen bond donor(s) and 5 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 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate?
The CAS number of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate is 676-70-0.
What is the molecular formula of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate?
The molecular formula of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate is C14H21N3O2.
What is the molecular weight of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate?
The molecular weight of Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate is 263.16 g/mol.
Where can I buy Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate?
You can request a quote for Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)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 Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(1e)-3-methyl-3-(2-methylpropyl)triaz-1-en-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.