4-Cyanophenyl dimethyl phosphate
TL;DR: 4-Cyanophenyl dimethyl phosphate (CAS 61090-94-6) is a chemical compound with molecular formula C9H10NO4P and molecular weight 227.03474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyanophenyl) dimethyl phosphate
Also Known As: CYANOPHOS-OXON, p-Cyanophenyl dimethyl phosphate, 4-cyanophenyl dimethyl phosphate, Dimethyl 4-cyano-phenyl phosphate, (4-cyanophenyl) dimethyl phosphate
Technical Specifications
| Molecular Formula | C9H10NO4P |
| Molecular Weight | 227.03474 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.03474 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | COP(=O)(OC)OC1=CC=C(C=C1)C#N |
| InChIKey | UYPOZCXBRKUQSO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyanophenyl dimethyl phosphate
Property Insights of 4-Cyanophenyl dimethyl phosphate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenyl dimethyl phosphate. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenyl dimethyl phosphate. Following Lipinski's Rule of Five, 4-Cyanophenyl dimethyl phosphate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Cyanophenyl dimethyl phosphate?
The CAS number of 4-Cyanophenyl dimethyl phosphate is 61090-94-6.
What is the molecular formula of 4-Cyanophenyl dimethyl phosphate?
The molecular formula of 4-Cyanophenyl dimethyl phosphate is C9H10NO4P.
What is the molecular weight of 4-Cyanophenyl dimethyl phosphate?
The molecular weight of 4-Cyanophenyl dimethyl phosphate is 227.03474 g/mol.
Where can I buy 4-Cyanophenyl dimethyl phosphate?
You can request a quote for 4-Cyanophenyl dimethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyanophenyl dimethyl phosphate?
Yes, CoreyChem provides custom synthesis services for 4-Cyanophenyl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.