Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
TL;DR: Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate (CAS 450346-33-5) is a chemical compound with molecular formula C13H12N4O5 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
Also Known As: ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate, ethyl 4-[(6-amino-5-nitropyrimidin-4-yl)oxy]benzoate, ethyl 4-((6-amino-5-nitropyrimidin-4-yl)oxy)benzoate, AB00357368-02, F0543-0319
| Molecular Formula | C13H12N4O5 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 1.936 |
| Topological Polar Surface Area | 130.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.08078 |
| Heavy Atoms | 22 |
| Complexity | 702.07666 |
Chemical Identifiers
| CAS Number | 450346-33-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate (CAS 450346-33-5), with molecular formula C13H12N4O5 and molecular weight 304.08 g/mol. IUPAC: ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate.
Chemical Property Profile of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
Property Insights of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate
The XLogP value of 1.936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate. The TPSA of 130.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate has 1 hydrogen bond donor(s) and 8 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 Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
The CAS number of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate is 450346-33-5.
What is the molecular formula of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
The molecular formula of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate is C13H12N4O5.
What is the molecular weight of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
The molecular weight of Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate is 304.08 g/mol.
Where can I buy Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
You can request a quote for Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(6-amino-5-nitropyrimidin-4-yl)oxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.