(E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol
TL;DR: (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol (CAS 381708-67-4) is a chemical compound with molecular formula C16H17N5O6 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-[4-(diethylamino)-3-nitrophenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol, 6-[(E)-2-[4-(diethylamino)-3-nitrophenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione, 6-[2-(4-diethylamino-3-nitro-phenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione, 6-{(E)-2-[4-(diethylamino)-3-nitrophenyl]ethenyl}-5-nitropyrimidine-2,4-diol
| Molecular Formula | C16H17N5O6 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 1.8962 |
| Topological Polar Surface Area | 155.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.1179 |
| Heavy Atoms | 27 |
| Complexity | 1018.6914 |
Chemical Identifiers
| CAS Number | 381708-67-4 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol (CAS 381708-67-4), with molecular formula C16H17N5O6 and molecular weight 375.12 g/mol. IUPAC: 6-[(E)-2-[4-(diethylamino)-3-nitrophenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol
Property Insights of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol
The XLogP value of 1.8962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol. The TPSA of 155.24 Ų indicates high polarity, suggesting (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol has 2 hydrogen bond donor(s) and 7 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 (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol?
The CAS number of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol is 381708-67-4.
What is the molecular formula of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol?
The molecular formula of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol is C16H17N5O6.
What is the molecular weight of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol?
The molecular weight of (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol is 375.12 g/mol.
Where can I buy (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol?
You can request a quote for (E)-6-(4-(diethylamino)-3-nitrostyryl)-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 (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-(diethylamino)-3-nitrostyryl)-5-nitropyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.