Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate
TL;DR: Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate (CAS 21310-38-3) is a chemical compound with molecular formula C6H11ClNO2P and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[chloromethyl(ethoxy)phosphoryl]propanenitrile
Also Known As: Ethyl (chloromethyl)(2-cyanoethyl)phosphinate, 3-[chloromethyl(ethoxy)phosphoryl]propanenitrile, ETHYL (CHLOROMETHYL)(2-CYANOETHYL)-PHOSPHINATE, J1.609.243F, Chloromethyl(2-cyanoethyl)phosphinic acid ethyl ester
| Molecular Formula | C6H11ClNO2P |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.02159 |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 21310-38-3 |
|---|---|
| SMILES | CCOP(=O)(CCC#N)CCl |
| InChIKey | BFAXBTSWGFBFAO-UHFFFAOYSA-N |
Product Overview
Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate (CAS 21310-38-3), with molecular formula C6H11ClNO2P and molecular weight 195.02 g/mol. IUPAC: 3-[chloromethyl(ethoxy)phosphoryl]propanenitrile.
Chemical Property Profile of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate
Property Insights of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (chloromethyl)(2-cyanoethyl)-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 (chloromethyl)(2-cyanoethyl)-phosphinate?
The CAS number of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate is 21310-38-3.
What is the molecular formula of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate?
The molecular formula of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate is C6H11ClNO2P.
What is the molecular weight of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate?
The molecular weight of Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate is 195.02 g/mol.
Where can I buy Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate?
You can request a quote for Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (chloromethyl)(2-cyanoethyl)-phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.