![2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione structure](/static/products/1028/102827-44-1.webp)
2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione
TL;DR: 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione (CAS 102827-44-1) is a chemical compound with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-2-(4-methylphenyl)-4H-pyrazol-3-one
Also Known As: 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione, 5,5'-dimethyl-2,2'-bis(4-methylphenyl)-2,2',4,4'-tetrahydro-3h,3'h-4,4'-bipyrazole-3,3'-dione, 5-methyl-4-[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-2-(4-methylphenyl)-4H-pyrazol-3-one
| Molecular Formula | C22H22N4O2 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.1743 |
| Heavy Atoms | 28 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 102827-44-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C3C(=NN(C3=O)C4=CC=C(C=C4)C)C |
| InChIKey | OACNTMKZPWMFFC-UHFFFAOYSA-N |
Product Overview
2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione (CAS 102827-44-1), with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol. IUPAC: 5-methyl-4-[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-2-(4-methylphenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione
Property Insights of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione
The XLogP value of 3.1 indicates that 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione. Following Lipinski's Rule of Five, 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione has 0 hydrogen bond donor(s) and 4 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 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione?
The CAS number of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione is 102827-44-1.
What is the molecular formula of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione?
The molecular formula of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione is C22H22N4O2.
What is the molecular weight of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione?
The molecular weight of 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione is 374.17 g/mol.
Where can I buy 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione?
You can request a quote for 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-bis(4-methylphenyl)[4,4'-bi-3H-pyrazole]-3,3'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.