![3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione structure](/static/products/4576/457639-27-9.webp)
3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione
TL;DR: 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione (CAS 457639-27-9) is a chemical compound with molecular formula C18H14ClFN2O2 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
Also Known As: 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione, 3-Chloro-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)-1H-pyrrole-2,5-dione, 3-chloro-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione, 1-(3,5-dimethylphenyl)-3-chloro-4-[(4-fluorophenyl)amino]azoline-2,5-dione
| Molecular Formula | C18H14ClFN2O2 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.07278 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 457639-27-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)F)C |
| InChIKey | LIZLXMGKVUJPNF-UHFFFAOYSA-N |
Product Overview
3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione (CAS 457639-27-9), with molecular formula C18H14ClFN2O2 and molecular weight 344.07 g/mol. IUPAC: 3-chloro-1-(3,5-dimethylphenyl)-4-(4-fluoroanilino)pyrrole-2,5-dione.
Chemical Property Profile of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione
Property Insights of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione
The XLogP value of 4.5 indicates that 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione has 1 hydrogen bond donor(s) and 4 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 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione?
The CAS number of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione is 457639-27-9.
What is the molecular formula of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione?
The molecular formula of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione is C18H14ClFN2O2.
What is the molecular weight of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione?
The molecular weight of 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione is 344.07 g/mol.
Where can I buy 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione?
You can request a quote for 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-1-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)amino]-1H-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.