![6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol structure](/static/products/675/675855-97-7.png)
6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol
TL;DR: 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol (CAS 675855-97-7) is a chemical compound with molecular formula C12H7ClFN3O4 and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: BAS 08188815, (E)-6-(2-chloro-6-fluorostyryl)-5-nitropyrimidine-2,4(1H,3H)-dione, 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol, 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione, 6-[2-(2-chloro-6-fluorophenyl)vinyl]-5-nitro-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C12H7ClFN3O4 |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 1.9343 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.01093 |
| Heavy Atoms | 21 |
| Complexity | 836.0615 |
Chemical Identifiers
| CAS Number | 675855-97-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])F |
Product Overview
6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol (CAS 675855-97-7), with molecular formula C12H7ClFN3O4 and molecular weight 311.01 g/mol. IUPAC: 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Property Insights of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol
The XLogP value of 1.9343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol. Following Lipinski's Rule of Five, 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-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-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol?
The CAS number of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol is 675855-97-7.
What is the molecular formula of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol?
The molecular formula of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol is C12H7ClFN3O4.
What is the molecular weight of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol?
The molecular weight of 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol is 311.01 g/mol.
Where can I buy 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol?
You can request a quote for 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-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-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitropyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.