(4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate
TL;DR: (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate (CAS 568558-42-9) is a chemical compound with molecular formula C22H16F3N3O3 and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(trifluoromethyl)benzoate
Also Known As: (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate, Benzoic acid, 4-(trifluoromethyl)-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(trifluoromethyl)benzoate
| Molecular Formula | C22H16F3N3O3 |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 5.9163 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.11438 |
| Heavy Atoms | 31 |
| Complexity | 1065.1553 |
Chemical Identifiers
| CAS Number | 568558-42-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
(4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate (CAS 568558-42-9), with molecular formula C22H16F3N3O3 and molecular weight 427.11 g/mol. IUPAC: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(trifluoromethyl)benzoate.
Chemical Property Profile of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate
Property Insights of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate
The XLogP value of 5.9163 indicates that (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate 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-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate?
The CAS number of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate is 568558-42-9.
What is the molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate?
The molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate is C22H16F3N3O3.
What is the molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate?
The molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate is 427.11 g/mol.
Where can I buy (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate?
You can request a quote for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.