1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
TL;DR: 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one (CAS 69098-63-1) is a chemical compound with molecular formula C9H11N3O5 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
Also Known As: 1-(4,6-dimethoxy-5-nitropyrimidin-2-yl)propan-2-one, 5-nitro-4,6-dimethoxy-2-acetonylpyrimidine, 2-Propanone, 1-(4,6-dimethoxy-5-nitro-2-pyrimidinyl)-, RefChem:224650
| Molecular Formula | C9H11N3O5 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 0.5335 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.06987 |
| Heavy Atoms | 17 |
| Complexity | 434.9397 |
Chemical Identifiers
| CAS Number | 69098-63-1 |
|---|---|
| SMILES | CC(=O)CC1=NC(=C(C(=N1)OC)[N+](=O)[O-])OC |
Product Overview
1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one (CAS 69098-63-1), with molecular formula C9H11N3O5 and molecular weight 241.07 g/mol. IUPAC: 1-(4,6-dimethoxy-5-nitropyrimidin-2-yl)propan-2-one.
Chemical Property Profile of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
Property Insights of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one
The XLogP value of 0.5335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one. The TPSA of 104.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one. Following Lipinski's Rule of Five, 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one has 0 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-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one?
The CAS number of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one is 69098-63-1.
What is the molecular formula of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one?
The molecular formula of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one is C9H11N3O5.
What is the molecular weight of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one?
The molecular weight of 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one is 241.07 g/mol.
Where can I buy 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one?
You can request a quote for 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one 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-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,6-Dimethoxy-5-nitropyrimidin-2-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.