diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate
TL;DR: diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate (CAS 58838-11-2) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-amino-1-phenylpyrazole-3,5-dicarboxylate
Also Known As: diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate, AU-059/43521876, diethyl 4-amino-1-phenylpyrazole-3,5-dicarboxylate, diethyl 4-amino-1-phenyl-pyrazole-3,5-dicarboxylate
| Molecular Formula | C15H17N3O4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 1.8079 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12192 |
| Heavy Atoms | 22 |
| Complexity | 679.59607 |
Chemical Identifiers
| CAS Number | 58838-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OCC)N |
Product Overview
diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate (CAS 58838-11-2), with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol. IUPAC: diethyl 4-amino-1-phenylpyrazole-3,5-dicarboxylate.
Chemical Property Profile of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate
Property Insights of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate
The XLogP value of 1.8079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate?
The CAS number of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate is 58838-11-2.
What is the molecular formula of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate?
The molecular formula of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate is C15H17N3O4.
What is the molecular weight of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate?
The molecular weight of diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate is 303.12 g/mol.
Where can I buy diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate?
You can request a quote for diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.