3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione
TL;DR: 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione (CAS 302803-91-4) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione
Also Known As: 3-chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione, 3-chloro-1-phenyl-4-(3-toluidino)-1H-pyrrole-2,5-dione, AF-399/13428504, 3-chloro-1-phenyl-4-(m-tolylamino)-1H-pyrrole-2,5-dione, 3-chloro-4-[(3-methylphenyl)amino]-1-phenylazoline-2,5-dione
| Molecular Formula | C17H13ClN2O2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06656 |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 302803-91-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3)Cl |
| InChIKey | USLGTFQGZZFZMN-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione (CAS 302803-91-4), with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol. IUPAC: 3-chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione.
Chemical Property Profile of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione
Property Insights of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione
The XLogP value of 4.0 indicates that 3-Chloro-4-(3-methylanilino)-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-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(3-methylanilino)-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-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione?
The CAS number of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione is 302803-91-4.
What is the molecular formula of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione?
The molecular formula of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione is C17H13ClN2O2.
What is the molecular weight of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione?
The molecular weight of 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione is 312.07 g/mol.
Where can I buy 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione?
You can request a quote for 3-Chloro-4-(3-methylanilino)-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-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(3-methylanilino)-1-phenylpyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.