2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
TL;DR: 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile (CAS 606924-12-3) is a chemical compound with molecular formula C12H7F6N3O and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
Also Known As: 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile, 2-(2-furyl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-5-pyrimidinecarbonitrile, 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 2-(2-furanyl)-1,4-dihydro-6-methyl-4,4-bis(trifluoromethyl)- (9CI)
| Molecular Formula | C12H7F6N3O |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 3.29038 |
| Topological Polar Surface Area | 61.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.04932 |
| Heavy Atoms | 22 |
| Complexity | 661.19525 |
Chemical Identifiers
| CAS Number | 606924-12-3 |
|---|---|
| SMILES | CC1=C(C(N=C(N1)C2=CC=CO2)(C(F)(F)F)C(F)(F)F)C#N |
Product Overview
2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile (CAS 606924-12-3), with molecular formula C12H7F6N3O and molecular weight 323.05 g/mol. IUPAC: 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Property Insights of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
The XLogP value of 3.29038 indicates that 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
The CAS number of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is 606924-12-3.
What is the molecular formula of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
The molecular formula of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is C12H7F6N3O.
What is the molecular weight of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
The molecular weight of 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is 323.05 g/mol.
Where can I buy 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
You can request a quote for 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(furan-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.