![ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate structure](/static/products/2558/255872-07-2.webp)
ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate
TL;DR: ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate (CAS 255872-07-2) is a chemical compound with molecular formula C20H31F3NO7PS and molecular weight 517.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate, 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester, ethyl 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate, 2-(Diisobutoxy-phosphoryl)-3,3,3-trifluoro-2-(toluene-4-sulfonylamino)-propionic acid ethyl ester, (R)-ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-(4-methylphenylsulfonamido)propanoate
| Molecular Formula | C20H31F3NO7PS |
|---|---|
| Molecular Weight | 517.15 g/mol |
| LogP | 4.63332 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 517.1511 |
| Heavy Atoms | 33 |
| Complexity | 933.4002 |
Chemical Identifiers
| CAS Number | 255872-07-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC(C)C)OCC(C)C |
Product Overview
ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate (CAS 255872-07-2), with molecular formula C20H31F3NO7PS and molecular weight 517.15 g/mol. IUPAC: ethyl 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate
Property Insights of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate
The XLogP value of 4.63332 indicates that ethyl 2-(diisobutoxyphosphoryl)-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-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate. Following Lipinski's Rule of Five, ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
The CAS number of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is 255872-07-2.
What is the molecular formula of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
The molecular formula of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is C20H31F3NO7PS.
What is the molecular weight of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
The molecular weight of ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate is 517.15 g/mol.
Where can I buy ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
You can request a quote for ethyl 2-(diisobutoxyphosphoryl)-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-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(diisobutoxyphosphoryl)-3,3,3-trifluoro-2-{[(4-methylphenyl)sulphonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.