4,6(1H,5H)-Pyrimidinedione, 5-bromo-
TL;DR: 4,6(1H,5H)-Pyrimidinedione, 5-bromo- (CAS 52176-13-3) is a chemical compound with molecular formula C4H3BrN2O2 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1H-pyrimidine-4,6-dione
Also Known As: 5-bromopyrimidine-4,6(1h,5h)-dione, 5-Bromo-1H,5H-pyrimidine-4,6-dione, 5-bromo-1H-pyrimidine-4,6-dione, 5-Bromo-4,6-dihydroxypyrimidine, 4,6(1H,5H)-Pyrimidinedione, 5-bromo-
| Molecular Formula | C4H3BrN2O2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.93779 |
| Heavy Atoms | 9 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 52176-13-3 |
|---|---|
| SMILES | C1=NC(=O)C(C(=O)N1)Br |
| InChIKey | SGJYMNDTJKWWFN-UHFFFAOYSA-N |
Product Overview
4,6(1H,5H)-Pyrimidinedione, 5-bromo- (CAS 52176-13-3), with molecular formula C4H3BrN2O2 and molecular weight 189.94 g/mol. IUPAC: 5-bromo-1H-pyrimidine-4,6-dione.
Chemical Property Profile of 4,6(1H,5H)-Pyrimidinedione, 5-bromo-
Property Insights of 4,6(1H,5H)-Pyrimidinedione, 5-bromo-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6(1H,5H)-Pyrimidinedione, 5-bromo-. With a topological polar surface area (TPSA) of 58.5 Ų, 4,6(1H,5H)-Pyrimidinedione, 5-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6(1H,5H)-Pyrimidinedione, 5-bromo- has 1 hydrogen bond donor(s) and 2 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 4,6(1H,5H)-Pyrimidinedione, 5-bromo-?
The CAS number of 4,6(1H,5H)-Pyrimidinedione, 5-bromo- is 52176-13-3.
What is the molecular formula of 4,6(1H,5H)-Pyrimidinedione, 5-bromo-?
The molecular formula of 4,6(1H,5H)-Pyrimidinedione, 5-bromo- is C4H3BrN2O2.
What is the molecular weight of 4,6(1H,5H)-Pyrimidinedione, 5-bromo-?
The molecular weight of 4,6(1H,5H)-Pyrimidinedione, 5-bromo- is 189.94 g/mol.
Where can I buy 4,6(1H,5H)-Pyrimidinedione, 5-bromo-?
You can request a quote for 4,6(1H,5H)-Pyrimidinedione, 5-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6(1H,5H)-Pyrimidinedione, 5-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 4,6(1H,5H)-Pyrimidinedione, 5-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.