(E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 382650-97-7) is a chemical compound with molecular formula C16H9BrN2O5 and molecular weight 387.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-(7-bromo-4-oxochromen-3-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(E)-3-(7-bromo-4-oxochromen-3-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, (5Z)-5-[(2E)-3-(7-bromo-4-oxo-4H-chromen-3-yl)prop-2-en-1-ylidene]-2,6-dihydroxypyrimidin-4(5H)-one
| Molecular Formula | C16H9BrN2O5 |
|---|---|
| Molecular Weight | 387.97 g/mol |
| LogP | 1.8611 |
| Topological Polar Surface Area | 105.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.96948 |
| Heavy Atoms | 24 |
| Complexity | 981.1851 |
Chemical Identifiers
| CAS Number | 382650-97-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)OC=C(C2=O)/C=C/C=C3C(=O)NC(=O)NC3=O |
Product Overview
(E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 382650-97-7), with molecular formula C16H9BrN2O5 and molecular weight 387.97 g/mol. IUPAC: 5-[(E)-3-(7-bromo-4-oxochromen-3-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.8611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 105.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 5 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 (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 382650-97-7.
What is the molecular formula of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C16H9BrN2O5.
What is the molecular weight of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 387.97 g/mol.
Where can I buy (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-(7-bromo-4-oxo-4H-chromen-3-yl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.