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Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate
TL;DR: Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate (CAS 37799-77-2) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(2-methylpyrazol-3-yl)amino]methylidene]propanedioate
Also Known As: 3,5-Dichlor-2,1-benzisothiazol, DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE, Diethyl 2-(((1-methyl-1H-pyrazol-5-yl)amino)methylene)malonate, diethyl 2-{[(1-methyl-1H-pyrazol-5-yl)amino]methylene}malonate, diethyl 2-[[(2-methylpyrazol-3-yl)amino]methylidene]propanedioate
| Molecular Formula | C12H17N3O4 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 0.8421 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.12192 |
| Heavy Atoms | 19 |
| Complexity | 459.07397 |
Chemical Identifiers
| CAS Number | 37799-77-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=NN1C)C(=O)OCC |
Product Overview
Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate (CAS 37799-77-2), with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol. IUPAC: diethyl 2-[[(2-methylpyrazol-3-yl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate
Property Insights of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate
The XLogP value of 0.8421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate 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 Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate?
The CAS number of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate is 37799-77-2.
What is the molecular formula of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate?
The molecular formula of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate is C12H17N3O4.
What is the molecular weight of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate?
The molecular weight of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate is 267.12 g/mol.
Where can I buy Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate?
You can request a quote for Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.