![diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate structure](/static/products/1311/131169-02-3.webp)
diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate
TL;DR: diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate (CAS 131169-02-3) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[[(4-benzoyl-1,5-dimethylpyrrol-3-yl)amino]methylidene]propanedioate
Also Known As: Bionet1_000895, diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate, 6F-950, 1,3-diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylidene}propanedioate, diethyl 2-[[(4-benzoyl-1,5-dimethylpyrrol-3-yl)amino]methylidene]propanedioate
Technical Specifications
| Molecular Formula | C21H24N2O5 |
| Molecular Weight | 384.16852 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.16852 Da |
| Heavy Atoms | 28 |
| Complexity | 578.0 |
| SMILES | CCOC(=O)C(=CNC1=CN(C(=C1C(=O)C2=CC=CC=C2)C)C)C(=O)OCC |
| InChIKey | VAEAFQHAHZMQMG-UHFFFAOYSA-N |
Chemical Property Profile of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate
Property Insights of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate
The XLogP value of 3.7 indicates that diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate. Following Lipinski's Rule of Five, diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-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
What is the CAS number of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate?
The CAS number of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate is 131169-02-3.
What is the molecular formula of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate?
The molecular formula of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate is C21H24N2O5.
What is the molecular weight of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate?
The molecular weight of diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate is 384.16852 g/mol.
Where can I buy diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate?
You can request a quote for diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate?
Yes, CoreyChem provides custom synthesis services for diethyl 2-{[(4-benzoyl-1,5-dimethyl-1H-pyrrol-3-yl)amino]methylene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.