C19H13F19NO7PS
TL;DR: C19H13F19NO7PS (CAS 69013-34-9) is a chemical compound with molecular formula C19H13F19NO7PS and molecular weight 790.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-[4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxyphenyl]sulfonylamino]ethyl dihydrogen phosphate
Also Known As: Benzenesulfonamide, N-methyl-4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]-N-[2-(phosphonooxy)ethyl]-, 2-(N-Methyl-4-{[1,1,1,5,5,6,6,6-octafluoro-4-(pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxy}benzene-1-sulfonamido)ethyl dihydrogen phosphate, Benzenesulfonamide, N-methyl-4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-N-(2-(phosphonooxy)ethyl)-, Benzenesulfonamide, N-methyl-4-((4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)-N-(2-(phosphonooxy)ethyl)-, Benzenesulfonamide,N-methyl-4-[[4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl]oxy]-N-[2-(phosphonooxy)ethyl]-
| Molecular Formula | C19H13F19NO7PS |
|---|---|
| Molecular Weight | 790.98 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 11 |
| Exact Mass | 790.9847 |
| Heavy Atoms | 48 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 69013-34-9 |
|---|---|
| SMILES | CN(CCOP(=O)(O)O)S(=O)(=O)C1=CC=C(C=C1)OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| InChIKey | PUQQCLQURHMROM-UHFFFAOYSA-N |
Product Overview
C19H13F19NO7PS (CAS 69013-34-9), with molecular formula C19H13F19NO7PS and molecular weight 790.98 g/mol. IUPAC: 2-[methyl-[4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxyphenyl]sulfonylamino]ethyl dihydrogen phosphate.
Chemical Property Profile of C19H13F19NO7PS
Property Insights of C19H13F19NO7PS
The XLogP value of 6.4 indicates that C19H13F19NO7PS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H13F19NO7PS. Following Lipinski's Rule of Five, C19H13F19NO7PS has 2 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H13F19NO7PS?
The CAS number of C19H13F19NO7PS is 69013-34-9.
What is the molecular formula of C19H13F19NO7PS?
The molecular formula of C19H13F19NO7PS is C19H13F19NO7PS.
What is the molecular weight of C19H13F19NO7PS?
The molecular weight of C19H13F19NO7PS is 790.98 g/mol.
Where can I buy C19H13F19NO7PS?
You can request a quote for C19H13F19NO7PS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13F19NO7PS?
Yes, KEHONG BIO provides custom synthesis services for C19H13F19NO7PS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.