Bionet1_004516
TL;DR: Bionet1_004516 (CAS 477709-25-4) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate
Also Known As: Bionet1_004516, 11P-358S, ethyl 5-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate, ethyl 5-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate, ethyl 1-phenyl-5-{2-[(propylcarbamoyl)carbonyl]-1H-pyrrol-1-yl}-1H-pyrazole-4-carboxylate
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 2.5486 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 1020.4929 |
Chemical Identifiers
| CAS Number | 477709-25-4 |
|---|---|
| SMILES | CCCNC(=O)C(=O)C1=CC=CN1C2=C(C=NN2C3=CC=CC=C3)C(=O)OCC |
Product Overview
Bionet1_004516 (CAS 477709-25-4), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: ethyl 5-[2-[2-oxo-2-(propylamino)acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of Bionet1_004516
Property Insights of Bionet1_004516
The XLogP value of 2.5486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004516. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004516. Following Lipinski's Rule of Five, Bionet1_004516 has 1 hydrogen bond donor(s) and 5 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 Bionet1_004516?
The CAS number of Bionet1_004516 is 477709-25-4.
What is the molecular formula of Bionet1_004516?
The molecular formula of Bionet1_004516 is C21H22N4O4.
What is the molecular weight of Bionet1_004516?
The molecular weight of Bionet1_004516 is 394.16 g/mol.
Where can I buy Bionet1_004516?
You can request a quote for Bionet1_004516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004516?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.