Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester
TL;DR: Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester (CAS 52870-25-4) is a chemical compound with molecular formula C8H15N2O5P and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-cyanoethyl(ethoxy)phosphoryl]oxyethyl carbamate
Also Known As: 2-(Carbamoyloxy)ethyl ethyl (2-cyanoethyl)phosphonate, Phosphonic acid, 2-cyanoethyl-, 2-carbamoyloxy ethyl ester, 2-(carbamoyloxy)ethyl ethyl(2-cyanoethyl)phosphonate, 2-[2-cyanoethyl(ethoxy)phosphoryl]oxyethyl carbamate, Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester
| Molecular Formula | C8H15N2O5P |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.07185 |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 52870-25-4 |
|---|---|
| SMILES | CCOP(=O)(CCC#N)OCCOC(=O)N |
| InChIKey | GNWOSSPXKVFSFR-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester (CAS 52870-25-4), with molecular formula C8H15N2O5P and molecular weight 250.07 g/mol. IUPAC: 2-[2-cyanoethyl(ethoxy)phosphoryl]oxyethyl carbamate.
Chemical Property Profile of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester
Property Insights of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester
The XLogP value of -1.2 indicates that Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester 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 Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester?
The CAS number of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester is 52870-25-4.
What is the molecular formula of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester?
The molecular formula of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester is C8H15N2O5P.
What is the molecular weight of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester?
The molecular weight of Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester is 250.07 g/mol.
Where can I buy Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester?
You can request a quote for Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, P-(2-cyanoethyl)-, 2-((aminocarbonyl)oxy)ethyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.