![6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione structure](/static/products/1846/18469-49-3.webp)
6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
TL;DR: 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione (CAS 18469-49-3) is a chemical compound with molecular formula C11H9BrN4O4 and molecular weight 339.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
Also Known As: 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione, 6-(4-amino-3-nitro-benzyl)-5-bromo-1H-pyrimidine-2,4-dione, 6-[(4-Amino-3-nitrophenyl)methyl]-5-bromopyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H9BrN4O4 |
|---|---|
| Molecular Weight | 339.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.9807 |
| Heavy Atoms | 20 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 18469-49-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=C(C(=O)NC(=O)N2)Br)[N+](=O)[O-])N |
| InChIKey | SCJKHMNRYXUSLQ-UHFFFAOYSA-N |
Product Overview
6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione (CAS 18469-49-3), with molecular formula C11H9BrN4O4 and molecular weight 339.98 g/mol. IUPAC: 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
Property Insights of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione has 3 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 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
The CAS number of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione is 18469-49-3.
What is the molecular formula of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
The molecular formula of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione is C11H9BrN4O4.
What is the molecular weight of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
The molecular weight of 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione is 339.98 g/mol.
Where can I buy 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
You can request a quote for 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-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 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-amino-3-nitrophenyl)methyl]-5-bromo-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.