C17H23F13N2O4S
TL;DR: C17H23F13N2O4S (CAS 66008-72-8) is a chemical compound with molecular formula C17H24F13N2O4S+ and molecular weight 599.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxyethyl-dimethyl-[3-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]propyl]azanium
Also Known As: 1-Propanaminium, N-(2-carboxyethyl)-N,N-dimethyl-3-(methyl((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl)amino)-, inner salt, 1-Propanaminium, N-(2-carboxyethyl)-N,N-dimethyl-3-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]-, hydroxide, inner salt, 1-Propanaminium, N-(2-carboxyethyl)-N,N-dimethyl-3-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]-, inner salt, 2-carboxyethyl-dimethyl-[3-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]propyl]azanium, 3-(N,N-Dimethyl-N-:3-(N'-(tridecafluoro-1,1,2,2-tetrahydro-1,1,2,2-octanesulfonyl)-N'-methylamino)propyl:ammonio)propionate
| Molecular Formula | C17H24F13N2O4S+ |
|---|---|
| Molecular Weight | 599.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 599.12494 |
| Heavy Atoms | 37 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 66008-72-8 |
|---|---|
| SMILES | CN(CCC[N+](C)(C)CCC(=O)O)S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | TUOHUMKQNSQWKE-UHFFFAOYSA-O |
Product Overview
C17H23F13N2O4S (CAS 66008-72-8), with molecular formula C17H24F13N2O4S+ and molecular weight 599.12 g/mol. IUPAC: 2-carboxyethyl-dimethyl-[3-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]propyl]azanium.
Chemical Property Profile of C17H23F13N2O4S
Property Insights of C17H23F13N2O4S
The XLogP value of 4.2 indicates that C17H23F13N2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H23F13N2O4S. Following Lipinski's Rule of Five, C17H23F13N2O4S has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C17H23F13N2O4S?
The CAS number of C17H23F13N2O4S is 66008-72-8.
What is the molecular formula of C17H23F13N2O4S?
The molecular formula of C17H23F13N2O4S is C17H24F13N2O4S+.
What is the molecular weight of C17H23F13N2O4S?
The molecular weight of C17H23F13N2O4S is 599.12 g/mol.
Where can I buy C17H23F13N2O4S?
You can request a quote for C17H23F13N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H23F13N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C17H23F13N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.