1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione
TL;DR: 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione (CAS 440091-45-2) is a chemical compound with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-ethoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione, 1-(4-ethoxybenzyl)-3-((4-ethoxyphenyl)sulfonyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-ethoxybenzyl)-3-[(4-ethoxyphenyl)sulfonyl]pyrimidine-2,4,6(1H,3H,5H)-trione, 1-[(4-ethoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H22N2O7S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 2.5538 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.11478 |
| Heavy Atoms | 31 |
| Complexity | 1079.7163 |
Chemical Identifiers
| CAS Number | 440091-45-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CN2C(=O)CC(=O)N(C2=O)S(=O)(=O)C3=CC=C(C=C3)OCC |
Product Overview
1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione (CAS 440091-45-2), with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol. IUPAC: 1-[(4-ethoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione
Property Insights of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione
The XLogP value of 2.5538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione has 0 hydrogen bond donor(s) and 7 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-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione?
The CAS number of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione is 440091-45-2.
What is the molecular formula of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione?
The molecular formula of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione is C21H22N2O7S.
What is the molecular weight of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione?
The molecular weight of 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione is 446.11 g/mol.
Where can I buy 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione?
You can request a quote for 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxy-benzenesulfonyl)-3-(4-ethoxy-benzyl)-pyrimidine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.