Phosphoric acid, 1-cyanoethyl diethyl ester
TL;DR: Phosphoric acid, 1-cyanoethyl diethyl ester (CAS 19239-48-6) is a chemical compound with molecular formula C7H14NO4P and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyanoethyl diethyl phosphate
Also Known As: Diethyl 1-cyanoethyl phosphate, 1-cyanoethyl diethyl phosphate, (1-Cyanoethyl)diethyl=phosphate, Phosphoric acid, 1-cyanoethyl diethyl ester, 4-03-00-00677 (Beilstein Handbook Reference)
| Molecular Formula | C7H14NO4P |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.06604 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 19239-48-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(C)C#N |
| InChIKey | BKZAGOCAPNLJCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphoric acid, 1-cyanoethyl diethyl ester (CAS 19239-48-6), with molecular formula C7H14NO4P and molecular weight 207.07 g/mol. IUPAC: 1-cyanoethyl diethyl phosphate.
Chemical Property Profile of Phosphoric acid, 1-cyanoethyl diethyl ester
Property Insights of Phosphoric acid, 1-cyanoethyl diethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 1-cyanoethyl diethyl ester. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 1-cyanoethyl diethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 1-cyanoethyl diethyl 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
Frequently Asked Questions
What is the CAS number of Phosphoric acid, 1-cyanoethyl diethyl ester?
The CAS number of Phosphoric acid, 1-cyanoethyl diethyl ester is 19239-48-6.
What is the molecular formula of Phosphoric acid, 1-cyanoethyl diethyl ester?
The molecular formula of Phosphoric acid, 1-cyanoethyl diethyl ester is C7H14NO4P.
What is the molecular weight of Phosphoric acid, 1-cyanoethyl diethyl ester?
The molecular weight of Phosphoric acid, 1-cyanoethyl diethyl ester is 207.07 g/mol.
Where can I buy Phosphoric acid, 1-cyanoethyl diethyl ester?
You can request a quote for Phosphoric acid, 1-cyanoethyl diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 1-cyanoethyl diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 1-cyanoethyl diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.