4-Cyanophenyl ethyl P-phenylphosphonate
TL;DR: 4-Cyanophenyl ethyl P-phenylphosphonate (CAS 6699-43-0) is a chemical compound with molecular formula C15H14NO3P and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethoxy(phenyl)phosphoryl]oxybenzonitrile
Also Known As: Cyanofenphos oxon, Cyanofenphos-oxon, 4-cyanphenyl-ethyl-phenylphosphonat, 4-cyanophenyl ethyl phenylphosphonate, 4-[ethoxy(phenyl)phosphoryl]oxybenzonitrile
| Molecular Formula | C15H14NO3P |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07114 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 6699-43-0 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N |
| InChIKey | AEBRAEXVWJHPJN-UHFFFAOYSA-N |
Product Overview
4-Cyanophenyl ethyl P-phenylphosphonate (CAS 6699-43-0), with molecular formula C15H14NO3P and molecular weight 287.07 g/mol. IUPAC: 4-[ethoxy(phenyl)phosphoryl]oxybenzonitrile.
Chemical Property Profile of 4-Cyanophenyl ethyl P-phenylphosphonate
Property Insights of 4-Cyanophenyl ethyl P-phenylphosphonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenyl ethyl P-phenylphosphonate. With a topological polar surface area (TPSA) of 59.3 Ų, 4-Cyanophenyl ethyl P-phenylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl ethyl P-phenylphosphonate 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
Frequently Asked Questions
What is the CAS number of 4-Cyanophenyl ethyl P-phenylphosphonate?
The CAS number of 4-Cyanophenyl ethyl P-phenylphosphonate is 6699-43-0.
What is the molecular formula of 4-Cyanophenyl ethyl P-phenylphosphonate?
The molecular formula of 4-Cyanophenyl ethyl P-phenylphosphonate is C15H14NO3P.
What is the molecular weight of 4-Cyanophenyl ethyl P-phenylphosphonate?
The molecular weight of 4-Cyanophenyl ethyl P-phenylphosphonate is 287.07 g/mol.
Where can I buy 4-Cyanophenyl ethyl P-phenylphosphonate?
You can request a quote for 4-Cyanophenyl ethyl P-phenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl ethyl P-phenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl ethyl P-phenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.