![3-[(Diisopropylphosphoryl)methyl]benzonitrile structure](/static/products/826/82622-62-6.webp)
3-[(Diisopropylphosphoryl)methyl]benzonitrile
TL;DR: 3-[(Diisopropylphosphoryl)methyl]benzonitrile (CAS 82622-62-6) is a chemical compound with molecular formula C14H20NOP and molecular weight 249.12825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[di(propan-2-yl)phosphorylmethyl]benzonitrile
Also Known As: 3-[(Diisopropylphosphoryl)methyl]benzonitrile, 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile, 3-((Diisopropylphosphoryl)methyl)benzonitrile, 3-(Diisopropyl-phosphinoylmethyl)-benzonitrile, BAS 02374280
Technical Specifications
| Molecular Formula | C14H20NOP |
| Molecular Weight | 249.12825 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.12825 Da |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
| SMILES | CC(C)P(=O)(CC1=CC(=CC=C1)C#N)C(C)C |
| InChIKey | XWXLGRKZBVPABR-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(Diisopropylphosphoryl)methyl]benzonitrile
Property Insights of 3-[(Diisopropylphosphoryl)methyl]benzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Diisopropylphosphoryl)methyl]benzonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 3-[(Diisopropylphosphoryl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Diisopropylphosphoryl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(Diisopropylphosphoryl)methyl]benzonitrile?
The CAS number of 3-[(Diisopropylphosphoryl)methyl]benzonitrile is 82622-62-6.
What is the molecular formula of 3-[(Diisopropylphosphoryl)methyl]benzonitrile?
The molecular formula of 3-[(Diisopropylphosphoryl)methyl]benzonitrile is C14H20NOP.
What is the molecular weight of 3-[(Diisopropylphosphoryl)methyl]benzonitrile?
The molecular weight of 3-[(Diisopropylphosphoryl)methyl]benzonitrile is 249.12825 g/mol.
Where can I buy 3-[(Diisopropylphosphoryl)methyl]benzonitrile?
You can request a quote for 3-[(Diisopropylphosphoryl)methyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(Diisopropylphosphoryl)methyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-[(Diisopropylphosphoryl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.