(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
TL;DR: (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione (CAS 372174-61-3) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
Also Known As: 3-(4-methoxybenzylidene)-2,4-pyrrolidinedione, (E)-3-(4-methoxybenzylidene)pyrrolidine-2,4-dione, AH-262/33340032, (3E)-3-(4-methoxybenzylidene)pyrrolidine-2,4-dione, (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 372174-61-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)CNC2=O |
| InChIKey | XUEXKEKOXPEVND-UXBLZVDNSA-N |
Product Overview
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione (CAS 372174-61-3), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione.
Chemical Property Profile of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
Property Insights of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione. With a topological polar surface area (TPSA) of 55.4 Ų, (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione has 1 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 (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The CAS number of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is 372174-61-3.
What is the molecular formula of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The molecular formula of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is C12H11NO3.
What is the molecular weight of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The molecular weight of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is 217.07 g/mol.
Where can I buy (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
You can request a quote for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.