Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
TL;DR: Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate (CAS 93041-20-4) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
Also Known As: Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate, J2.017.813B, AE-842/33004003, 4-phenyl-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester, Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate #
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 93041-20-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NN1)C(=O)OC)C2=CC=CC=C2 |
| InChIKey | VJOYCGRKDWRDBB-UHFFFAOYSA-N |
Product Overview
Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate (CAS 93041-20-4), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
Property Insights of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate 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 Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate?
The CAS number of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate is 93041-20-4.
What is the molecular formula of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate?
The molecular formula of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate is C13H12N2O4.
What is the molecular weight of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate?
The molecular weight of Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate is 260.08 g/mol.
Where can I buy Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate?
You can request a quote for Dimethyl 4-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 Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.