![Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate structure](/static/products/5054/50540-56-2.webp)
Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate
TL;DR: Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate (CAS 50540-56-2) is a chemical compound with molecular formula C23H20F3N7O5 and molecular weight 531.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-methoxycarbonylphenyl)diazenyl]-5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-imidazol-4-yl]diazenyl]benzoate
Also Known As: Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate, methyl 4-[2-[4-[(4-methoxycarbonylphenyl)diazenyl]-5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]imidazol-2-ylidene]hydrazinyl]benzoate, 4,4'-{5-[2-(2,2,2-trifluoro-acetylamino)-ethyl]-1(3)H-imidazol-2,4-diylbisazo}-bis-benzoic acid dimethyl ester, methyl 4-[(2E)-2-[4-[(4-methoxycarbonylphenyl)diazenyl]-5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]imidazol-2-ylidene]hydrazinyl]benzoate, METHYL 4-[(2Z)-2-[4-(4-METHOXYCARBONYLPHENYL)DIAZENYL-5-[2-[(2,2,2-TRIFLUOROACETYL)AMINO]ETHYL]IMIDAZOL-2-YLIDENE]HYDRAZINYL]BENZOATE
| Molecular Formula | C23H20F3N7O5 |
|---|---|
| Molecular Weight | 531.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 531.1478 |
| Heavy Atoms | 38 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 50540-56-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=NC2=C(NC(=N2)N=NC3=CC=C(C=C3)C(=O)OC)CCNC(=O)C(F)(F)F |
| InChIKey | KYDQMVQARCOOPW-UHFFFAOYSA-N |
Product Overview
Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate (CAS 50540-56-2), with molecular formula C23H20F3N7O5 and molecular weight 531.15 g/mol. IUPAC: methyl 4-[[2-[(4-methoxycarbonylphenyl)diazenyl]-5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-imidazol-4-yl]diazenyl]benzoate.
Chemical Property Profile of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate
Property Insights of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate
The XLogP value of 4.7 indicates that Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate?
The CAS number of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate is 50540-56-2.
What is the molecular formula of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate?
The molecular formula of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate is C23H20F3N7O5.
What is the molecular weight of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate?
The molecular weight of Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate is 531.15 g/mol.
Where can I buy Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate?
You can request a quote for Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.