4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
TL;DR: 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile (CAS 320418-90-4) is a chemical compound with molecular formula C18H12ClN3O and molecular weight 321.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile
Also Known As: 4-chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile, 4-chloro-6-(4-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile, 1E-194S, 4-chloro-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile, 4-chloranyl-6-(4-methoxyphenyl)-2-phenyl-pyrimidine-5-carbonitrile
Technical Specifications
| Molecular Formula | C18H12ClN3O |
| Molecular Weight | 321.0669 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0669 Da |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)Cl)C#N |
| InChIKey | GVCAJCMWYITQHP-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
Property Insights of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 4.2 indicates that 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is 320418-90-4.
What is the molecular formula of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is C18H12ClN3O.
What is the molecular weight of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is 321.0669 g/mol.
Where can I buy 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.