1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)
TL;DR: 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) (CAS 70259-57-3) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidene-1-[4-(3-methylidene-2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
Also Known As: METHYLENEBUTYROLACTAMS DERIV JS-II-9, 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one), 3-methylidene-1-[4-(3-methylidene-2-oxopyrrolidin-1-yl)pheny, 3-methylidene-1-[4-(3-methylidene-2-oxo-pyrrolidin-1-yl)phenyl]pyrrolidin-2-one, 3-methylidene-1-[4-(3-methylidene-2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 70259-57-3 |
|---|---|
| SMILES | C=C1CCN(C1=O)C2=CC=C(C=C2)N3CCC(=C)C3=O |
| InChIKey | FZJWFLJAYIRLJQ-UHFFFAOYSA-N |
Product Overview
1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) (CAS 70259-57-3), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 3-methylidene-1-[4-(3-methylidene-2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.
Chemical Property Profile of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)
Property Insights of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one). With a topological polar surface area (TPSA) of 40.6 Ų, 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-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 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)?
The CAS number of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) is 70259-57-3.
What is the molecular formula of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)?
The molecular formula of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) is C16H16N2O2.
What is the molecular weight of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)?
The molecular weight of 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) is 268.12 g/mol.
Where can I buy 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)?
You can request a quote for 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(1,4-Phenylene)bis(3-methylidenepyrrolidin-2-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.