3-(4-Methylanilino)-1,2-dihydropyrrol-5-one
TL;DR: 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one (CAS 371933-90-3) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylanilino)-1,2-dihydropyrrol-5-one
Also Known As: ChemDiv3_003130, 3-(4-methylanilino)-1,2-dihydropyrrol-5-one, 4-(4-toluidino)-1,5-dihydro-2H-pyrrol-2-one, 4-(p-tolylamino)-1H-pyrrol-2(5H)-one, 4-[(4-methylphenyl)amino]-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 371933-90-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=O)NC2 |
| InChIKey | NXEJDELXEXJQRP-UHFFFAOYSA-N |
Product Overview
3-(4-Methylanilino)-1,2-dihydropyrrol-5-one (CAS 371933-90-3), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 3-(4-methylanilino)-1,2-dihydropyrrol-5-one.
Chemical Property Profile of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one
Property Insights of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one. With a topological polar surface area (TPSA) of 41.1 Ų, 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one has 2 hydrogen bond donor(s) and 2 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-Methylanilino)-1,2-dihydropyrrol-5-one?
The CAS number of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one is 371933-90-3.
What is the molecular formula of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one?
The molecular formula of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one is C11H12N2O.
What is the molecular weight of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one?
The molecular weight of 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one is 188.09 g/mol.
Where can I buy 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one?
You can request a quote for 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylanilino)-1,2-dihydropyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.