Ethyl (cyanomethyl)methylphosphinate
TL;DR: Ethyl (cyanomethyl)methylphosphinate (CAS 118327-71-2) is a chemical compound with molecular formula C5H10NO2P and molecular weight 147.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(methyl)phosphoryl]acetonitrile
Also Known As: 2-Nitrophenoxybutylbromide, ethyl (cyanomethyl)methylphosphinate, Ethyl cyanomethyl-methylphosphinate, 2-(ethoxymethylcarbonyl)ethanenitrile, 2-[ethoxy(methyl)phosphoryl]acetonitrile
| Molecular Formula | C5H10NO2P |
|---|---|
| Molecular Weight | 147.04 g/mol |
| LogP | 1.45438 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.04492 |
| Heavy Atoms | 9 |
| Complexity | 160.83116 |
Chemical Identifiers
| CAS Number | 118327-71-2 |
|---|---|
| SMILES | CCOP(=O)(C)CC#N |
Product Overview
Ethyl (cyanomethyl)methylphosphinate (CAS 118327-71-2), with molecular formula C5H10NO2P and molecular weight 147.04 g/mol. IUPAC: 2-[ethoxy(methyl)phosphoryl]acetonitrile.
Chemical Property Profile of Ethyl (cyanomethyl)methylphosphinate
Property Insights of Ethyl (cyanomethyl)methylphosphinate
The XLogP value of 1.45438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (cyanomethyl)methylphosphinate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl (cyanomethyl)methylphosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (cyanomethyl)methylphosphinate 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 (cyanomethyl)methylphosphinate?
The CAS number of Ethyl (cyanomethyl)methylphosphinate is 118327-71-2.
What is the molecular formula of Ethyl (cyanomethyl)methylphosphinate?
The molecular formula of Ethyl (cyanomethyl)methylphosphinate is C5H10NO2P.
What is the molecular weight of Ethyl (cyanomethyl)methylphosphinate?
The molecular weight of Ethyl (cyanomethyl)methylphosphinate is 147.04 g/mol.
Where can I buy Ethyl (cyanomethyl)methylphosphinate?
You can request a quote for Ethyl (cyanomethyl)methylphosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (cyanomethyl)methylphosphinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (cyanomethyl)methylphosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.