![(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione structure](/static/products/372/372976-29-9.png)
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione (CAS 372976-29-9) is a chemical compound with molecular formula C16H11FN2O3S and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione, (5E)-1-(4-fluorobenzyl)-5-(2-thenylidene)barbituric acid, 1-(4-Fluoro-benzyl)-5-[1-thiophen-2-yl-meth-(E)-ylidene]-pyrimidine-2,4,6-trione, (5E)-1-(4-fluorobenzyl)-5-(thiophen-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (E)-1-(4-fluorobenzyl)-5-(thiophen-2-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H11FN2O3S |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 2.5492 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.04745 |
| Heavy Atoms | 23 |
| Complexity | 797.2427 |
Chemical Identifiers
| CAS Number | 372976-29-9 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F |
Product Overview
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione (CAS 372976-29-9), with molecular formula C16H11FN2O3S and molecular weight 330.05 g/mol. IUPAC: (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
The XLogP value of 2.5492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione has 1 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 (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is 372976-29-9.
What is the molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is C16H11FN2O3S.
What is the molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is 330.05 g/mol.
Where can I buy (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-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 (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.