(4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
TL;DR: (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate (CAS 729587-80-8) is a chemical compound with molecular formula C22H16F3N3O4 and molecular weight 443.11 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-(trifluoromethoxy)benzoate
Also Known As: (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate, Benzoic acid, 4-(trifluoromethoxy)-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(trifluoromethoxy)benzoate
| Molecular Formula | C22H16F3N3O4 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 5.7961 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.10928 |
| Heavy Atoms | 32 |
| Complexity | 1084.1588 |
Chemical Identifiers
| CAS Number | 729587-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC(F)(F)F |
Product Overview
(4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate (CAS 729587-80-8), with molecular formula C22H16F3N3O4 and molecular weight 443.11 g/mol. IUPAC: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(trifluoromethoxy)benzoate.
Chemical Property Profile of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
Property Insights of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate
The XLogP value of 5.7961 indicates that (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate. Following Lipinski's Rule of Five, (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate has 1 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 (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate?
The CAS number of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate is 729587-80-8.
What is the molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate?
The molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate is C22H16F3N3O4.
What is the molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate?
The molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate is 443.11 g/mol.
Where can I buy (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate?
You can request a quote for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)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-(trifluoromethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-phenyldiazenylphenyl)carbamoylmethyl 4-(trifluoromethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.