![3-[(Diphenylphosphinyl)methyl]benzonitrile structure](/static/products/813/81373-50-4.png)
3-[(Diphenylphosphinyl)methyl]benzonitrile
TL;DR: 3-[(Diphenylphosphinyl)methyl]benzonitrile (CAS 81373-50-4) is a chemical compound with molecular formula C20H16NOP and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diphenylphosphorylmethyl)benzonitrile
Also Known As: 3-(diphenylphosphorylmethyl)benzonitrile, 3-[(Diphenylphosphinyl)methyl]benzonitrile, 3-[(diphenylphosphoryl)methyl]benzonitrile
| Molecular Formula | C20H16NOP |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 4.07238 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.09695 |
| Heavy Atoms | 23 |
| Complexity | 838.7751 |
Chemical Identifiers
| CAS Number | 81373-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(CC2=CC(=CC=C2)C#N)C3=CC=CC=C3 |
Product Overview
3-[(Diphenylphosphinyl)methyl]benzonitrile (CAS 81373-50-4), with molecular formula C20H16NOP and molecular weight 317.10 g/mol. IUPAC: 3-(diphenylphosphorylmethyl)benzonitrile.
Chemical Property Profile of 3-[(Diphenylphosphinyl)methyl]benzonitrile
Property Insights of 3-[(Diphenylphosphinyl)methyl]benzonitrile
The XLogP value of 4.07238 indicates that 3-[(Diphenylphosphinyl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-[(Diphenylphosphinyl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Diphenylphosphinyl)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
Frequently Asked Questions
What is the CAS number of 3-[(Diphenylphosphinyl)methyl]benzonitrile?
The CAS number of 3-[(Diphenylphosphinyl)methyl]benzonitrile is 81373-50-4.
What is the molecular formula of 3-[(Diphenylphosphinyl)methyl]benzonitrile?
The molecular formula of 3-[(Diphenylphosphinyl)methyl]benzonitrile is C20H16NOP.
What is the molecular weight of 3-[(Diphenylphosphinyl)methyl]benzonitrile?
The molecular weight of 3-[(Diphenylphosphinyl)methyl]benzonitrile is 317.10 g/mol.
Where can I buy 3-[(Diphenylphosphinyl)methyl]benzonitrile?
You can request a quote for 3-[(Diphenylphosphinyl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Diphenylphosphinyl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Diphenylphosphinyl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.