6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
TL;DR: 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile (CAS 577998-22-2) is a chemical compound with molecular formula C15H11F6N3 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
Also Known As: 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile, 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile, 6-methyl-2-(p-tolyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
| Molecular Formula | C15H11F6N3 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 4.0058 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.08572 |
| Heavy Atoms | 24 |
| Complexity | 733.38965 |
Chemical Identifiers
| CAS Number | 577998-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(C(=C(N2)C)C#N)(C(F)(F)F)C(F)(F)F |
Product Overview
6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile (CAS 577998-22-2), with molecular formula C15H11F6N3 and molecular weight 347.09 g/mol. IUPAC: 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
Property Insights of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
The XLogP value of 4.0058 indicates that 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile 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 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
The CAS number of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is 577998-22-2.
What is the molecular formula of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
The molecular formula of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is C15H11F6N3.
What is the molecular weight of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
The molecular weight of 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile is 347.09 g/mol.
Where can I buy 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
You can request a quote for 6-methyl-2-(4-methylphenyl)-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 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.