3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione
TL;DR: 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione (CAS 587003-08-5) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
Also Known As: 3-(4-methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione, 3-(4-Methyl-benzyl)-1-pyrimidin-2-yl-pyrrolidine-2,5-dione, 3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 1.90722 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 667.6813 |
Chemical Identifiers
| CAS Number | 587003-08-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)C3=NC=CC=N3 |
Product Overview
3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione (CAS 587003-08-5), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione.
Chemical Property Profile of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione
Property Insights of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione
The XLogP value of 1.90722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione has 0 hydrogen bond donor(s) and 4 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-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione?
The CAS number of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione is 587003-08-5.
What is the molecular formula of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione?
The molecular formula of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione is C16H15N3O2.
What is the molecular weight of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione?
The molecular weight of 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione is 281.12 g/mol.
Where can I buy 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione?
You can request a quote for 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-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-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylbenzyl)-1-(pyrimidin-2-yl)pyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.