3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione
TL;DR: 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione (CAS 53744-40-4) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione
Also Known As: 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione, BAS 00233116, 3-(4-butoxyphenyl)-3-methylazolidine-2,5-dione, 3-(4-Butoxy-phenyl)-3-methyl-pyrrolidine-2,5-dione, 3-(4-Butoxyphenyl)-3-methyl-2,5-pyrrolidinedione #
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 53744-40-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2(CC(=O)NC2=O)C |
| InChIKey | ZWSFGFKWKJCIFF-UHFFFAOYSA-N |
Product Overview
3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione (CAS 53744-40-4), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione.
Chemical Property Profile of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione
Property Insights of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-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 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The CAS number of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione is 53744-40-4.
What is the molecular formula of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The molecular formula of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione is C15H19NO3.
What is the molecular weight of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The molecular weight of 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione is 261.14 g/mol.
Where can I buy 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
You can request a quote for 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.