ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate
TL;DR: ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate (CAS 340033-05-8) is a chemical compound with molecular formula C16H23F3NO7PS and molecular weight 461.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diethoxyphosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate, ethyl 2-diethoxyphosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate, ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-(4-methylbenzenesulfonamido)propanoate
| Molecular Formula | C16H23F3NO7PS |
|---|---|
| Molecular Weight | 461.09 g/mol |
| LogP | 3.36112 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.0885 |
| Heavy Atoms | 29 |
| Complexity | 848.2595 |
Chemical Identifiers
| CAS Number | 340033-05-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC)OCC |
Product Overview
ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate (CAS 340033-05-8), with molecular formula C16H23F3NO7PS and molecular weight 461.09 g/mol. IUPAC: ethyl 2-diethoxyphosphoryl-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate
Property Insights of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate
The XLogP value of 3.36112 indicates that ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate. Following Lipinski's Rule of Five, ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate has 1 hydrogen bond donor(s) and 7 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-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
The CAS number of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is 340033-05-8.
What is the molecular formula of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
The molecular formula of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is C16H23F3NO7PS.
What is the molecular weight of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
The molecular weight of ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is 461.09 g/mol.
Where can I buy ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
You can request a quote for ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.