![5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione structure](/static/products/1344/13441-92-4.webp)
5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
TL;DR: 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione (CAS 13441-92-4) is a chemical compound with molecular formula C11H8BrN3O4 and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione, 5-Bromo-6-[(4-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H8BrN3O4 |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.96982 |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 13441-92-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(C(=O)NC(=O)N2)Br)[N+](=O)[O-] |
| InChIKey | LWMPEMOFUCVOPC-UHFFFAOYSA-N |
Product Overview
5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione (CAS 13441-92-4), with molecular formula C11H8BrN3O4 and molecular weight 324.97 g/mol. IUPAC: 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
Property Insights of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione has 2 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 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The CAS number of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is 13441-92-4.
What is the molecular formula of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The molecular formula of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is C11H8BrN3O4.
What is the molecular weight of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The molecular weight of 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is 324.97 g/mol.
Where can I buy 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
You can request a quote for 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-6-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.