![Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester structure](/static/products/4746/474667-82-8.webp)
Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester
TL;DR: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester (CAS 474667-82-8) is a chemical compound with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Also Known As: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester, (2-cyanoethyl-phenyl-carbamoyl)methyl 2-(4-dimethylaminophenyl)diazenylbenzoate, [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate
| Molecular Formula | C26H25N5O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 5.27168 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.19574 |
| Heavy Atoms | 34 |
| Complexity | 1185.0629 |
Chemical Identifiers
| CAS Number | 474667-82-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3 |
Product Overview
Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester (CAS 474667-82-8), with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol. IUPAC: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester
Property Insights of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester
The XLogP value of 5.27168 indicates that Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester?
The CAS number of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester is 474667-82-8.
What is the molecular formula of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester?
The molecular formula of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester is C26H25N5O3.
What is the molecular weight of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester?
The molecular weight of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester is 455.20 g/mol.
Where can I buy Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester?
You can request a quote for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.