dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
TL;DR: dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate (CAS 94545-91-2) is a chemical compound with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate, dimethyl 3-methyl-5,5-diphenyl-4,5-dihydro-3H-pyrazole-3,4-dicarboxylate
| Molecular Formula | C20H20N2O4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.1423 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 94545-91-2 |
|---|---|
| SMILES | CC1(C(C(N=N1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC |
| InChIKey | RTOOPNRYFBANAX-UHFFFAOYSA-N |
Product Overview
dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate (CAS 94545-91-2), with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol. IUPAC: dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
Property Insights of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
The XLogP value of 3.4 indicates that dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate has 0 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 dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate?
The CAS number of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate is 94545-91-2.
What is the molecular formula of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate?
The molecular formula of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate is C20H20N2O4.
What is the molecular weight of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate?
The molecular weight of dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate is 352.14 g/mol.
Where can I buy dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate?
You can request a quote for dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.