1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione
TL;DR: 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione (CAS 704873-03-0) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-1-methylpyrrole-2,5-dione
Also Known As: 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione, 3-anilino-1-methylpyrrole-2,5-dione, 1-methyl-3-phenylaminopyrrole-2,5-dione, 1-methyl-3-(phenylamino)azoline-2,5-dione, J3.454.171J
Technical Specifications
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.07423 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 Da |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
| SMILES | CN1C(=O)C=C(C1=O)NC2=CC=CC=C2 |
| InChIKey | XLRUUFNLHJZAHQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione
Property Insights of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione?
The CAS number of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione is 704873-03-0.
What is the molecular formula of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione?
The molecular formula of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione is C11H10N2O2.
What is the molecular weight of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione?
The molecular weight of 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione is 202.07423 g/mol.
Where can I buy 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione?
You can request a quote for 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione?
Yes, CoreyChem provides custom synthesis services for 1-methyl-3-(phenylamino)-1H-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.