4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone
TL;DR: 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone (CAS 116705-42-1) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one
Also Known As: 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone, (4E)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one, (4E)-1,3-dimethyl-4-(nitromethylene)pyrimidin-2-one, (4Z)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one, 2(1H)-Pyrimidinone, 3,4-dihydro-1,3-dimethyl-4-(nitromethylene)-, (E)-
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | 0.6154 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 308.1046 |
Chemical Identifiers
| CAS Number | 116705-42-1 |
|---|---|
| SMILES | CN1C=C/C(=C\[N+](=O)[O-])/N(C1=O)C |
Product Overview
4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone (CAS 116705-42-1), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: (4E)-1,3-dimethyl-4-(nitromethylidene)pyrimidin-2-one.
Chemical Property Profile of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone
Property Insights of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone
The XLogP value of 0.6154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone. Following Lipinski's Rule of Five, 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone has 0 hydrogen bond donor(s) and 3 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 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone?
The CAS number of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone is 116705-42-1.
What is the molecular formula of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone?
The molecular formula of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone is C7H9N3O3.
What is the molecular weight of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone?
The molecular weight of 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone is 183.06 g/mol.
Where can I buy 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone?
You can request a quote for 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-((Hydroxy(oxido)amino)methylene)-1,3-dimethyl-3,4-dihydro-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.