Bis(4-cyanophenyl)phosphate
TL;DR: Bis(4-cyanophenyl)phosphate (CAS 47168-73-0) is a chemical compound with molecular formula C14H9N2O4P and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-cyanophenyl) hydrogen phosphate
Also Known As: Bis(4-cyanophenyl)phosphate, BIS PHOSPHATE, bis(4-cyanophenyl) hydrogen phosphate, 3-tetradecyloxolane-2,5-dione, Benzonitrile, 4,4'-(phosphinicobis(oxy))bis-
| Molecular Formula | C14H9N2O4P |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.03 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 47168-73-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OP(=O)(O)OC2=CC=C(C=C2)C#N |
| InChIKey | YKGSTFCOPDAPQE-UHFFFAOYSA-N |
Product Overview
Bis(4-cyanophenyl)phosphate (CAS 47168-73-0), with molecular formula C14H9N2O4P and molecular weight 300.03 g/mol. IUPAC: bis(4-cyanophenyl) hydrogen phosphate.
Chemical Property Profile of Bis(4-cyanophenyl)phosphate
Property Insights of Bis(4-cyanophenyl)phosphate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-cyanophenyl)phosphate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-cyanophenyl)phosphate. Following Lipinski's Rule of Five, Bis(4-cyanophenyl)phosphate has 1 hydrogen bond donor(s) and 6 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 Bis(4-cyanophenyl)phosphate?
The CAS number of Bis(4-cyanophenyl)phosphate is 47168-73-0.
What is the molecular formula of Bis(4-cyanophenyl)phosphate?
The molecular formula of Bis(4-cyanophenyl)phosphate is C14H9N2O4P.
What is the molecular weight of Bis(4-cyanophenyl)phosphate?
The molecular weight of Bis(4-cyanophenyl)phosphate is 300.03 g/mol.
Where can I buy Bis(4-cyanophenyl)phosphate?
You can request a quote for Bis(4-cyanophenyl)phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-cyanophenyl)phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-cyanophenyl)phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.