![2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid structure](/static/products/6697/66974-69-4.webp)
2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid
TL;DR: 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid (CAS 66974-69-4) is a chemical compound with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylaminodiazenyl)-5-nitrobenzoic acid
Also Known As: 2-(dimethylaminodiazenyl)-5-nitrobenzoic acid, 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid, Benzoicacid, 2-(3,3-dimethyl-1-triazen-1-yl)-5-nitro-
| Molecular Formula | C9H10N4O4 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0702 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 66974-69-4 |
|---|---|
| SMILES | CN(C)N=NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | CWNMHHFBFOLRDS-UHFFFAOYSA-N |
Product Overview
2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid (CAS 66974-69-4), with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol. IUPAC: 2-(dimethylaminodiazenyl)-5-nitrobenzoic acid.
Chemical Property Profile of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid
Property Insights of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid 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 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid?
The CAS number of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid is 66974-69-4.
What is the molecular formula of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid?
The molecular formula of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid is C9H10N4O4.
What is the molecular weight of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid?
The molecular weight of 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid is 238.07 g/mol.
Where can I buy 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid?
You can request a quote for 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.