5-Nitro-2-phenyl-4,6-pyrimidinediol
TL;DR: 5-Nitro-2-phenyl-4,6-pyrimidinediol (CAS 68905-99-7) is a chemical compound with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-nitro-2-phenyl-1H-pyrimidin-6-one
Also Known As: 5-Nitro-2-phenyl-4,6-pyrimidinediol, 5-nitro-2-phenylpyrimidine-4,6-diol, 5-Nitro-2-phenyl-4,6-pyrimidinediol #, 2-Phenyl-5-nitro-4,6-dihydroxypyrimidine, 2-Phenyl-5-nitro-4,6-dihydroxy-pyrimidine
| Molecular Formula | C10H7N3O4 |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.04366 |
| Heavy Atoms | 17 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 68905-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)[N+](=O)[O-])O |
| InChIKey | HZYOWXPKWVKUFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-phenyl-4,6-pyrimidinediol (CAS 68905-99-7), with molecular formula C10H7N3O4 and molecular weight 233.04 g/mol. IUPAC: 4-hydroxy-5-nitro-2-phenyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Nitro-2-phenyl-4,6-pyrimidinediol
Property Insights of 5-Nitro-2-phenyl-4,6-pyrimidinediol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-phenyl-4,6-pyrimidinediol. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-phenyl-4,6-pyrimidinediol. Following Lipinski's Rule of Five, 5-Nitro-2-phenyl-4,6-pyrimidinediol 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 5-Nitro-2-phenyl-4,6-pyrimidinediol?
The CAS number of 5-Nitro-2-phenyl-4,6-pyrimidinediol is 68905-99-7.
What is the molecular formula of 5-Nitro-2-phenyl-4,6-pyrimidinediol?
The molecular formula of 5-Nitro-2-phenyl-4,6-pyrimidinediol is C10H7N3O4.
What is the molecular weight of 5-Nitro-2-phenyl-4,6-pyrimidinediol?
The molecular weight of 5-Nitro-2-phenyl-4,6-pyrimidinediol is 233.04 g/mol.
Where can I buy 5-Nitro-2-phenyl-4,6-pyrimidinediol?
You can request a quote for 5-Nitro-2-phenyl-4,6-pyrimidinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-phenyl-4,6-pyrimidinediol?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-phenyl-4,6-pyrimidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.