6-Chloro-5-nitropyrimidine-2,4-diol
TL;DR: 6-Chloro-5-nitropyrimidine-2,4-diol (CAS 750-11-8) is a chemical compound with molecular formula C4H2ClN3O4 and molecular weight 190.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: 6-CHLORO-5-NITROPYRIMIDINE-2,4-DIOL, 6-chloro-5-nitropyrimidine-2,4(1h,3h)-dione, 6-chloro-5-nitro-1H-pyrimidine-2,4-dione, 5-Nitro-6-chlorouracil, 6-Chloro-5-nitrouracil
| Molecular Formula | C4H2ClN3O4 |
|---|---|
| Molecular Weight | 190.97 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.97339 |
| Heavy Atoms | 12 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 750-11-8 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)Cl)[N+](=O)[O-] |
| InChIKey | GPFMSTOIHBOPQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-5-nitropyrimidine-2,4-diol (CAS 750-11-8), with molecular formula C4H2ClN3O4 and molecular weight 190.97 g/mol. IUPAC: 6-chloro-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Chloro-5-nitropyrimidine-2,4-diol
Property Insights of 6-Chloro-5-nitropyrimidine-2,4-diol
The XLogP value of -0.1 indicates that 6-Chloro-5-nitropyrimidine-2,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-5-nitropyrimidine-2,4-diol. Following Lipinski's Rule of Five, 6-Chloro-5-nitropyrimidine-2,4-diol 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 6-Chloro-5-nitropyrimidine-2,4-diol?
The CAS number of 6-Chloro-5-nitropyrimidine-2,4-diol is 750-11-8.
What is the molecular formula of 6-Chloro-5-nitropyrimidine-2,4-diol?
The molecular formula of 6-Chloro-5-nitropyrimidine-2,4-diol is C4H2ClN3O4.
What is the molecular weight of 6-Chloro-5-nitropyrimidine-2,4-diol?
The molecular weight of 6-Chloro-5-nitropyrimidine-2,4-diol is 190.97 g/mol.
Where can I buy 6-Chloro-5-nitropyrimidine-2,4-diol?
You can request a quote for 6-Chloro-5-nitropyrimidine-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-5-nitropyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-5-nitropyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.