![1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one structure](/static/products/3387/338791-79-0.webp)
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one
TL;DR: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one (CAS 338791-79-0) is a chemical compound with molecular formula C13H13ClF3N3O and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylaminomethylidene)pyrrolidin-2-one
Also Known As: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(dimethylamino)methylene]-2-pyrrolidinone
| Molecular Formula | C13H13ClF3N3O |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 2.936 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.06992 |
| Heavy Atoms | 21 |
| Complexity | 598.8146 |
Chemical Identifiers
| CAS Number | 338791-79-0 |
|---|---|
| SMILES | CN(C)C=C1CCN(C1=O)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one (CAS 338791-79-0), with molecular formula C13H13ClF3N3O and molecular weight 319.07 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylaminomethylidene)pyrrolidin-2-one.
Chemical Property Profile of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one
Property Insights of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one
The XLogP value of 2.936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 36.44 Ų, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)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-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one?
The CAS number of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one is 338791-79-0.
What is the molecular formula of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one?
The molecular formula of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one is C13H13ClF3N3O.
What is the molecular weight of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one?
The molecular weight of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one is 319.07 g/mol.
Where can I buy 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one?
You can request a quote for 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)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-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylaminomethylidene)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.