![Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- structure](/static/products/6361/63617-61-8.webp)
Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-
TL;DR: Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- (CAS 63617-61-8) is a chemical compound with molecular formula C21H19N3 and molecular weight 313.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile
Also Known As: 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzonitrile, RO-CM-7334, 5-(p-Butylphenyl)-2-(p-cyanophenyl)-pyrimidine, 4-(5-(4-Butylphenyl)pyrimidin-2-yl)benzonitrile, Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H19N3 |
| Molecular Weight | 313.1579 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1579 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N |
| InChIKey | GQJHPVOLXNKXKB-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-
Property Insights of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-
The XLogP value of 5.1 indicates that Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-?
The CAS number of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- is 63617-61-8.
What is the molecular formula of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-?
The molecular formula of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- is C21H19N3.
What is the molecular weight of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-?
The molecular weight of Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- is 313.1579 g/mol.
Where can I buy Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-?
You can request a quote for Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.