![3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one structure](/static/products/1595/159587-46-9.webp)
3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
TL;DR: 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one (CAS 159587-46-9) is a chemical compound with molecular formula C13H12F3N3O3 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
Also Known As: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one, 1,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phenyl)-3,4-dihydro-1H-pyrimidin-2-one, 1,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one, 1,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3,4-dihydropyrimidin-2(1H)-one, 5-nitro-1,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-pyrimidinone
| Molecular Formula | C13H12F3N3O3 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 2.9097 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.08307 |
| Heavy Atoms | 22 |
| Complexity | 669.98444 |
Chemical Identifiers
| CAS Number | 159587-46-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-] |
Product Overview
3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one (CAS 159587-46-9), with molecular formula C13H12F3N3O3 and molecular weight 315.08 g/mol. IUPAC: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one.
Chemical Property Profile of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
Property Insights of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one
The XLogP value of 2.9097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one. Following Lipinski's Rule of Five, 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one has 1 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 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one?
The CAS number of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one is 159587-46-9.
What is the molecular formula of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one?
The molecular formula of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one is C13H12F3N3O3.
What is the molecular weight of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one?
The molecular weight of 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one is 315.08 g/mol.
Where can I buy 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one?
You can request a quote for 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.