![1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate structure](/static/products/959/959581-99-8.png)
1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate
TL;DR: 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate (CAS 959581-99-8) is a chemical compound with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(3-tert-butyl-1-methylpyrazol-5-yl)amino]methylidene]propanedioate
Also Known As: 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate, Diethyl {[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)amino]methylidene}propanedioate, diethyl 2-[[(5-tert-butyl-2-methylpyrazol-3-yl)amino]methylidene]propanedioate
| Molecular Formula | C16H25N3O4 |
|---|---|
| Molecular Weight | 323.18 g/mol |
| LogP | 2.1396 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.1845 |
| Heavy Atoms | 23 |
| Complexity | 576.9568 |
Chemical Identifiers
| CAS Number | 959581-99-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=NN1C)C(C)(C)C)C(=O)OCC |
Product Overview
1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate (CAS 959581-99-8), with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol. IUPAC: diethyl 2-[[(3-tert-butyl-1-methylpyrazol-5-yl)amino]methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate
Property Insights of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate
The XLogP value of 2.1396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate 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 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate?
The CAS number of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate is 959581-99-8.
What is the molecular formula of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate?
The molecular formula of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate is C16H25N3O4.
What is the molecular weight of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate?
The molecular weight of 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate is 323.18 g/mol.
Where can I buy 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate?
You can request a quote for 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]amino]methylene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.