5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol
TL;DR: 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol (CAS 23766-60-1) is a chemical compound with molecular formula C10H6N4O6 and molecular weight 278.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-6-(4-nitrophenyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol, 5-nitro-6-(4-nitrophenyl)-1H-pyrimidine-2,4-dione
| Molecular Formula | C10H6N4O6 |
|---|---|
| Molecular Weight | 278.03 g/mol |
| LogP | 0.5466 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.02875 |
| Heavy Atoms | 20 |
| Complexity | 803.7329 |
Chemical Identifiers
| CAS Number | 23766-60-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol (CAS 23766-60-1), with molecular formula C10H6N4O6 and molecular weight 278.03 g/mol. IUPAC: 5-nitro-6-(4-nitrophenyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol
Property Insights of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol
The XLogP value of 0.5466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol. The TPSA of 152.0 Ų indicates high polarity, suggesting 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol has 2 hydrogen bond donor(s) and 6 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-6-{4-nitrophenyl}-2,4-pyrimidinediol?
The CAS number of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol is 23766-60-1.
What is the molecular formula of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol?
The molecular formula of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol is C10H6N4O6.
What is the molecular weight of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol?
The molecular weight of 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol is 278.03 g/mol.
Where can I buy 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol?
You can request a quote for 5-Nitro-6-{4-nitrophenyl}-2,4-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-6-{4-nitrophenyl}-2,4-pyrimidinediol?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-6-{4-nitrophenyl}-2,4-pyrimidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.