(3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one
TL;DR: (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one (CAS 339021-10-2) is a chemical compound with molecular formula C13H15BrN2O and molecular weight 294.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one
Also Known As: 1-(4-bromophenyl)-3-[(dimethylamino)methylene]-2-pyrrolidinone
| Molecular Formula | C13H15BrN2O |
|---|---|
| Molecular Weight | 294.04 g/mol |
| LogP | 2.6313 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.03677 |
| Heavy Atoms | 17 |
| Complexity | 450.9922 |
Chemical Identifiers
| CAS Number | 339021-10-2 |
|---|---|
| SMILES | CN(C)/C=C/1\CCN(C1=O)C2=CC=C(C=C2)Br |
Product Overview
(3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one (CAS 339021-10-2), with molecular formula C13H15BrN2O and molecular weight 294.04 g/mol. IUPAC: (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one.
Chemical Property Profile of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one
Property Insights of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one
The XLogP value of 2.6313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 23.55 Ų, (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)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 (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one?
The CAS number of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one is 339021-10-2.
What is the molecular formula of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one?
The molecular formula of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one is C13H15BrN2O.
What is the molecular weight of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one?
The molecular weight of (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one is 294.04 g/mol.
Where can I buy (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one?
You can request a quote for (3E)-1-(4-bromophenyl)-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 (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-(4-bromophenyl)-3-(dimethylaminomethylidene)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.