5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione (CAS 176250-09-2) is a chemical compound with molecular formula C10H6BrN3O4 and molecular weight 310.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-5-nitrophenyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione, 5-(3-bromo-5-nitrophenyl)-1H-pyrimidine-2,4-dione, AI-942/42301840
| Molecular Formula | C10H6BrN3O4 |
|---|---|
| Molecular Weight | 310.95 g/mol |
| LogP | 1.4009 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.95416 |
| Heavy Atoms | 18 |
| Complexity | 734.388 |
Chemical Identifiers
| CAS Number | 176250-09-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Br)C2=CNC(=O)NC2=O |
Product Overview
5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione (CAS 176250-09-2), with molecular formula C10H6BrN3O4 and molecular weight 310.95 g/mol. IUPAC: 5-(3-bromo-5-nitrophenyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.4009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione 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-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione is 176250-09-2.
What is the molecular formula of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione is C10H6BrN3O4.
What is the molecular weight of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione is 310.95 g/mol.
Where can I buy 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-bromo-5-nitrophenyl}-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.