![1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone structure](/static/products/4503/450346-31-3.webp)
1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
TL;DR: 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone (CAS 450346-31-3) is a chemical compound with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
Also Known As: 1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone, 1-{4-[(6-amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethan-1-one, 1-{4-[(6-amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethanone, 1-(4-((6-amino-5-nitropyrimidin-4-yl)oxy)phenyl)ethanone, F0543-0317
| Molecular Formula | C12H10N4O4 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 1.9619 |
| Topological Polar Surface Area | 121.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0702 |
| Heavy Atoms | 20 |
| Complexity | 669.6576 |
Chemical Identifiers
| CAS Number | 450346-31-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone (CAS 450346-31-3), with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol. IUPAC: 1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone.
Chemical Property Profile of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
Property Insights of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
The XLogP value of 1.9619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone. The TPSA of 121.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone. Following Lipinski's Rule of Five, 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone has 1 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 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone?
The CAS number of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone is 450346-31-3.
What is the molecular formula of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone?
The molecular formula of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone is C12H10N4O4.
What is the molecular weight of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone?
The molecular weight of 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone is 274.07 g/mol.
Where can I buy 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone?
You can request a quote for 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.