1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one
TL;DR: 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one (CAS 42435-97-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(4-methylbenzoyl)pyrrolidin-2-one
Also Known As: 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one, EINECS 255-825-0, 1-methyl-5- pyrrolidin-2-one, N-Methyl-p-toluyl-5-pyrrolidon-2, 1-Methyl-5-(4-methylbenzoyl)-2-pyrrolizinone
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.79852 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 422.06366 |
Chemical Identifiers
| CAS Number | 42435-97-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2CCC(=O)N2C |
Product Overview
1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one (CAS 42435-97-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 1-methyl-5-(4-methylbenzoyl)pyrrolidin-2-one.
Chemical Property Profile of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one
Property Insights of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one
The XLogP value of 1.79852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 37.38 Ų, 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one has 0 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 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one?
The CAS number of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one is 42435-97-2.
What is the molecular formula of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one?
The molecular formula of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one is C13H15NO2.
What is the molecular weight of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one?
The molecular weight of 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one is 217.11 g/mol.
Where can I buy 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one?
You can request a quote for 1-Methyl-5-(4-methylbenzoyl)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-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(4-methylbenzoyl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.