![4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid structure](/static/products/6697/66974-67-2.webp)
4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid
TL;DR: 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid (CAS 66974-67-2) is a chemical compound with molecular formula C16H25N3O2 and molecular weight 291.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[methyl(octyl)amino]diazenyl]benzoic acid
Also Known As: 4-[[methyl(octyl)amino]diazenyl]benzoic acid, 4-(methyl-octyl-amino)diazenylbenzoic acid, 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid
| Molecular Formula | C16H25N3O2 |
|---|---|
| Molecular Weight | 291.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 291.19467 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 66974-67-2 |
|---|---|
| SMILES | CCCCCCCCN(C)N=NC1=CC=C(C=C1)C(=O)O |
| InChIKey | UQEZFSBOXDPODJ-UHFFFAOYSA-N |
Product Overview
4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid (CAS 66974-67-2), with molecular formula C16H25N3O2 and molecular weight 291.19 g/mol. IUPAC: 4-[[methyl(octyl)amino]diazenyl]benzoic acid.
Chemical Property Profile of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid
Property Insights of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid
The XLogP value of 5.4 indicates that 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid?
The CAS number of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid is 66974-67-2.
What is the molecular formula of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid?
The molecular formula of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid is C16H25N3O2.
What is the molecular weight of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid?
The molecular weight of 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid is 291.19 g/mol.
Where can I buy 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid?
You can request a quote for 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-3-Methyl-3-octyltriaz-1-en-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.