![Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester structure](/static/products/7330/733033-89-1.webp)
Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester
TL;DR: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester (CAS 733033-89-1) is a chemical compound with molecular formula C30H27F3N4O3 and molecular weight 548.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Also Known As: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester, [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate
| Molecular Formula | C30H27F3N4O3 |
|---|---|
| Molecular Weight | 548.20 g/mol |
| LogP | 7.63404 |
| Topological Polar Surface Area | 76.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.20355 |
| Heavy Atoms | 40 |
| Complexity | 1572.0625 |
Chemical Identifiers
| CAS Number | 733033-89-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)COC(=O)C3=CC=CC=C3N=NC4=CC=C(C=C4)N(C)C |
Product Overview
Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester (CAS 733033-89-1), with molecular formula C30H27F3N4O3 and molecular weight 548.20 g/mol. IUPAC: [2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester
Property Insights of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester
The XLogP value of 7.63404 indicates that Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester has 0 hydrogen bond donor(s) and 6 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-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester?
The CAS number of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester is 733033-89-1.
What is the molecular formula of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester?
The molecular formula of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester is C30H27F3N4O3.
What is the molecular weight of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester?
The molecular weight of Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester is 548.20 g/mol.
Where can I buy Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester?
You can request a quote for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-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-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.