5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-
TL;DR: 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- (CAS 142076-88-8) is a chemical compound with molecular formula C12H8ClN3 and molecular weight 229.04068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile
Also Known As: 4-chloro-2-methyl-6-phenylpyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-, 4-chloro-2-methyl-6-phenyl-5-pyrimidinecarbonitrile, AN-913/13813001
Technical Specifications
| Molecular Formula | C12H8ClN3 |
| Molecular Weight | 229.04068 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.04068 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | CC1=NC(=C(C(=N1)Cl)C#N)C2=CC=CC=C2 |
| InChIKey | RYHMZVJEQWNKQT-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-
Property Insights of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-. With a topological polar surface area (TPSA) of 49.6 Ų, 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-?
The CAS number of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- is 142076-88-8.
What is the molecular formula of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-?
The molecular formula of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- is C12H8ClN3.
What is the molecular weight of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-?
The molecular weight of 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- is 229.04068 g/mol.
Where can I buy 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-?
You can request a quote for 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl-?
Yes, CoreyChem provides custom synthesis services for 5-Pyrimidinecarbonitrile, 4-chloro-2-methyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.