![6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one structure](/static/products/159/159587-38-9.png)
6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one
TL;DR: 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one (CAS 159587-38-9) is a chemical compound with molecular formula C12H10F3N3O3 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
Also Known As: BAS 00086981, 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one, 4-methyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,3,6-trihydropyrimidin-2-one, 6-methyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3,4-dihydropyrimidin-2(1H)-one, 6-Methyl-5-nitro-4-(2-trifluoromethyl-phenyl)-3,4-dihydro-1H-pyrimidin-2-one
| Molecular Formula | C12H10F3N3O3 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.5675 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0674 |
| Heavy Atoms | 21 |
| Complexity | 640.12506 |
Chemical Identifiers
| CAS Number | 159587-38-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-] |
Product Overview
6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one (CAS 159587-38-9), with molecular formula C12H10F3N3O3 and molecular weight 301.07 g/mol. IUPAC: 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one.
Chemical Property Profile of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one
Property Insights of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one
The XLogP value of 2.5675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one has 2 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 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one?
The CAS number of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one is 159587-38-9.
What is the molecular formula of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one?
The molecular formula of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one is C12H10F3N3O3.
What is the molecular weight of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one?
The molecular weight of 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one is 301.07 g/mol.
Where can I buy 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one?
You can request a quote for 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.