3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione
TL;DR: 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione (CAS 5761-93-3) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloroanilino)-1-phenylpyrrole-2,5-dione
Also Known As: MixCom6_001834, 3-(4-chloroanilino)-1-phenylpyrrole-2,5-dione, BIM-0032119.P001, 3-[(4-chlorophenyl)amino]-1-phenyl-1H-pyrrole-2,5-dione, 3-(4-Chloroanilino)-1-phenyl-1H-pyrrole-2,5-dione
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 5761-93-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(C2=O)NC3=CC=C(C=C3)Cl |
| InChIKey | HBQNTMWJAAWICE-UHFFFAOYSA-N |
Product Overview
3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione (CAS 5761-93-3), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: 3-(4-chloroanilino)-1-phenylpyrrole-2,5-dione.
Chemical Property Profile of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione
Property Insights of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione
The XLogP value of 3.4 indicates that 3-(4-Chloroanilino)-1-phenylpyrrole-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-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloroanilino)-1-phenylpyrrole-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
Frequently Asked Questions
What is the CAS number of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione?
The CAS number of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione is 5761-93-3.
What is the molecular formula of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione?
The molecular formula of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione is C16H11ClN2O2.
What is the molecular weight of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione?
The molecular weight of 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione is 298.05 g/mol.
Where can I buy 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione?
You can request a quote for 3-(4-Chloroanilino)-1-phenylpyrrole-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-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloroanilino)-1-phenylpyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.