1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone
TL;DR: 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone (CAS 87013-78-3) is a chemical compound with molecular formula C12H16N4O and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: 1,2-bis(3,5-dimethylpyrazol-1-yl)ethanone, BIM-0029834.P001, 1,2-bis(3,5-dimethyl-1H-pyrazol-1-yl)ethanone, 1-[(3,5-dimethylpyrazol-1-yl)acetyl]-3,5-dimethylpyrazole, 1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 87013-78-3 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)N2C(=CC(=N2)C)C)C |
| InChIKey | WGMHYIBILLAZIT-UHFFFAOYSA-N |
Product Overview
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone (CAS 87013-78-3), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: 1,2-bis(3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone
Property Insights of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone. With a topological polar surface area (TPSA) of 52.7 Ų, 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 3 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 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone?
The CAS number of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone is 87013-78-3.
What is the molecular formula of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone?
The molecular formula of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone is C12H16N4O.
What is the molecular weight of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone?
The molecular weight of 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone is 232.13 g/mol.
Where can I buy 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone?
You can request a quote for 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.