1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one
TL;DR: 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one (CAS 728030-28-2) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-3-nitrophenyl)pyrrolidin-2-one
Also Known As: 1-(4-methyl-3-nitrophenyl)pyrrolidin-2-one, 1-(4-Methyl-3-nitrophenyl)-2-pyrrolidinone, 2-pyrrolidinone, 1-(4-methyl-3-nitrophenyl)-, 1-(4-methyl-3-nitro-phenyl)pyrrolidin-2-one, A3868/0164335
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.03002 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 456.54294 |
Chemical Identifiers
| CAS Number | 728030-28-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCCC2=O)[N+](=O)[O-] |
Product Overview
1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one (CAS 728030-28-2), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)pyrrolidin-2-one.
Chemical Property Profile of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one
Property Insights of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one
The XLogP value of 2.03002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one. Following Lipinski's Rule of Five, 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one has 0 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 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one?
The CAS number of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one is 728030-28-2.
What is the molecular formula of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one?
The molecular formula of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one is C11H12N2O3.
What is the molecular weight of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one?
The molecular weight of 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one is 220.08 g/mol.
Where can I buy 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one?
You can request a quote for 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-3-nitrophenyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.