Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate
TL;DR: Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate (CAS 139474-92-3) is a chemical compound with molecular formula C9H16F2NO2P and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1,1-difluorobutyl(ethoxy)phosphoryl]propanenitrile
Also Known As: ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate, 3-(1,1-difluorobutyl-ethoxy-phosphoryl)propanenitrile
| Molecular Formula | C9H16F2NO2P |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.60758 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.08867 |
| Heavy Atoms | 15 |
| Complexity | 275.77612 |
Chemical Identifiers
| CAS Number | 139474-92-3 |
|---|---|
| SMILES | CCCC(F)(F)P(=O)(CCC#N)OCC |
Product Overview
Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate (CAS 139474-92-3), with molecular formula C9H16F2NO2P and molecular weight 239.09 g/mol. IUPAC: 3-[1,1-difluorobutyl(ethoxy)phosphoryl]propanenitrile.
Chemical Property Profile of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate
Property Insights of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate
The XLogP value of 3.60758 indicates that Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate?
The CAS number of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate is 139474-92-3.
What is the molecular formula of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate?
The molecular formula of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate is C9H16F2NO2P.
What is the molecular weight of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate?
The molecular weight of Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate is 239.09 g/mol.
Where can I buy Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate?
You can request a quote for Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyanoethyl(1,1-difluorobutyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.