Phosphoric acid, 1-cyanobutyl dibutyl ester
TL;DR: Phosphoric acid, 1-cyanobutyl dibutyl ester (CAS 73972-76-6) is a chemical compound with molecular formula C13H26NO4P and molecular weight 291.15994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl 1-cyanobutyl phosphate
Also Known As: Dibutyl 1-cyanobutyl phosphate, Phosphoric acid, 1-cyanobutyl dibutyl ester, (1-Cyanobutyl)dibutyl=phosphate, Phosphoric acid, dibutyl 1-cyanobutyl ester, 2-[(DIBUTOXYPHOSPHORYL)OXY]PENTANENITRILE
Technical Specifications
| Molecular Formula | C13H26NO4P |
| Molecular Weight | 291.15994 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 291.15994 Da |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| SMILES | CCCCOP(=O)(OCCCC)OC(CCC)C#N |
| InChIKey | KWULWOZTURJEDW-UHFFFAOYSA-N |
Chemical Property Profile of Phosphoric acid, 1-cyanobutyl dibutyl ester
Property Insights of Phosphoric acid, 1-cyanobutyl dibutyl ester
The XLogP value of 3.1 indicates that Phosphoric acid, 1-cyanobutyl dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 1-cyanobutyl dibutyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 1-cyanobutyl dibutyl ester 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 Phosphoric acid, 1-cyanobutyl dibutyl ester?
The CAS number of Phosphoric acid, 1-cyanobutyl dibutyl ester is 73972-76-6.
What is the molecular formula of Phosphoric acid, 1-cyanobutyl dibutyl ester?
The molecular formula of Phosphoric acid, 1-cyanobutyl dibutyl ester is C13H26NO4P.
What is the molecular weight of Phosphoric acid, 1-cyanobutyl dibutyl ester?
The molecular weight of Phosphoric acid, 1-cyanobutyl dibutyl ester is 291.15994 g/mol.
Where can I buy Phosphoric acid, 1-cyanobutyl dibutyl ester?
You can request a quote for Phosphoric acid, 1-cyanobutyl dibutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphoric acid, 1-cyanobutyl dibutyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphoric acid, 1-cyanobutyl dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.