![4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid structure](/static/products/900/90094-75-0.png)
4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid
TL;DR: 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid (CAS 90094-75-0) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylaminodiazenyl)benzoic acid
Also Known As: 4-diethylaminodiazenylbenzoicacid, 4-(diethylaminodiazenyl)benzoic acid, 4-DIETHYLAMINODIAZENYLBENZOIC ACID, 4-[(diethylamino)diazenyl]benzoic acid, 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 90094-75-0 |
|---|---|
| SMILES | CCN(CC)N=NC1=CC=C(C=C1)C(=O)O |
| InChIKey | ABDRFEKKVMHBGW-UHFFFAOYSA-N |
Product Overview
4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid (CAS 90094-75-0), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 4-(diethylaminodiazenyl)benzoic acid.
Chemical Property Profile of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid
Property Insights of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid has 1 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 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid?
The CAS number of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid is 90094-75-0.
What is the molecular formula of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid?
The molecular formula of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid is C11H15N3O2.
What is the molecular weight of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid?
The molecular weight of 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid is 221.12 g/mol.
Where can I buy 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid?
You can request a quote for 4-[(1E)-3,3-diethyltriaz-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)-3,3-diethyltriaz-1-en-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-3,3-diethyltriaz-1-en-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.