diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate
TL;DR: diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate (CAS 110299-41-7) is a chemical compound with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(5-methyl-2-phenylpyrazol-3-yl)amino]methylidene]propanedioate
Also Known As: 1,3-Diethyl 2-{[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]methylidene}propanedioate, diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate, diethyl 2-[[(5-methyl-2-phenylpyrazol-3-yl)amino]methylidene]propanedioate, F1967-0992
| Molecular Formula | C18H21N3O4 |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 2.60272 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.1532 |
| Heavy Atoms | 25 |
| Complexity | 745.8833 |
Chemical Identifiers
| CAS Number | 110299-41-7 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=NN1C2=CC=CC=C2)C)C(=O)OCC |
Product Overview
diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate (CAS 110299-41-7), with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol. IUPAC: diethyl 2-[[(5-methyl-2-phenylpyrazol-3-yl)amino]methylidene]propanedioate.
Chemical Property Profile of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate
Property Insights of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate
The XLogP value of 2.60272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-(((3-methyl-1-phenyl-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-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate. Following Lipinski's Rule of Five, diethyl 2-(((3-methyl-1-phenyl-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-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate?
The CAS number of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate is 110299-41-7.
What is the molecular formula of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate?
The molecular formula of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate is C18H21N3O4.
What is the molecular weight of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate?
The molecular weight of diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate is 343.15 g/mol.
Where can I buy diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate?
You can request a quote for diethyl 2-(((3-methyl-1-phenyl-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-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(((3-methyl-1-phenyl-1H-pyrazol-5-yl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.