2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
TL;DR: 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- (CAS 95356-55-1) is a chemical compound with molecular formula C13H14N4O and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
Also Known As: 1-((1-Phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinone, BAS 03439487, 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-, 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one, AH-262/01728006
| Molecular Formula | C13H14N4O |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.11676 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 95356-55-1 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC2=NC=NN2C3=CC=CC=C3 |
| InChIKey | VQUHWQZLHDKXLR-UHFFFAOYSA-N |
Product Overview
2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- (CAS 95356-55-1), with molecular formula C13H14N4O and molecular weight 242.12 g/mol. IUPAC: 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
Property Insights of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-. With a topological polar surface area (TPSA) of 51.0 Ų, 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- 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 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-?
The CAS number of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- is 95356-55-1.
What is the molecular formula of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-?
The molecular formula of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- is C13H14N4O.
What is the molecular weight of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-?
The molecular weight of 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- is 242.12 g/mol.
Where can I buy 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-?
You can request a quote for 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.