5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
TL;DR: 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone (CAS 444925-48-8) is a chemical compound with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
Also Known As: 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone, 2(1H)-PYRIMIDINONE, 5-ACETYL-3,4-DIHYDRO-4-(2-HYDROXY-3-NITROPHENYL)-6-METHYL-, 2(1H)-Pyrimidinone, 5-acetyl-3,4-dihydro-4-(2-hydroxy-3-nitrophenyl)-6-methyl- (9CI), 5-acetyl-4-(2-hydroxy-3-nitro-phenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one, 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
| Molecular Formula | C13H13N3O5 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 1.5173 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0855 |
| Heavy Atoms | 21 |
| Complexity | 680.38434 |
Chemical Identifiers
| CAS Number | 444925-48-8 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)[N+](=O)[O-])O)C(=O)C |
Product Overview
5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone (CAS 444925-48-8), with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol. IUPAC: 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
Chemical Property Profile of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
Property Insights of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
The XLogP value of 1.5173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone. Following Lipinski's Rule of Five, 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone has 3 hydrogen bond donor(s) and 5 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 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
The CAS number of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone is 444925-48-8.
What is the molecular formula of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
The molecular formula of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone is C13H13N3O5.
What is the molecular weight of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
The molecular weight of 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone is 291.09 g/mol.
Where can I buy 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
You can request a quote for 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-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 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.