(E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate (CAS 294668-33-0) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(5-amino-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate, F0239-0600, 2,4-diethyl 5-{2-[(4E)-3-amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(2E)-2-(3-amino-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(5-amino-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 3.88652 |
| Topological Polar Surface Area | 141.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1192.759 |
Chemical Identifiers
| CAS Number | 294668-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N=NC2=C(NN(C2=O)C3=CC=CC=C3)N |
Product Overview
(E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate (CAS 294668-33-0), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: diethyl 5-[(5-amino-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.88652 indicates that (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.13 Ų indicates high polarity, suggesting (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate is 294668-33-0.
What is the molecular formula of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate is C20H21N5O5S.
What is the molecular weight of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate is 443.13 g/mol.
Where can I buy (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-diethyl 5-(2-(3-amino-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.