EINECS 254-157-7
TL;DR: EINECS 254-157-7 (CAS 5041-92-9) is a chemical compound with molecular formula C16H23F13N2O6S2 and molecular weight 650.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate
Also Known As: qaPFSMi n=6, 3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate, dimethyl[3-[[sulphonyl]amino]propyl]ammoniumhydroxide, 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((3-sulfopropyl)((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, inner salt, 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((3-sulfopropyl)((tridecafluorohexyl)sulfonyl)amino)-, inner salt
| Molecular Formula | C16H23F13N2O6S2 |
|---|---|
| Molecular Weight | 650.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 650.079 |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 5041-92-9 |
|---|---|
| SMILES | C[N+](C)(CCCN(CCCS(=O)(=O)[O-])S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO |
| InChIKey | WYFODDRZFDBDDF-UHFFFAOYSA-N |
Product Overview
EINECS 254-157-7 (CAS 5041-92-9), with molecular formula C16H23F13N2O6S2 and molecular weight 650.08 g/mol. IUPAC: 3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate.
Chemical Property Profile of EINECS 254-157-7
Property Insights of EINECS 254-157-7
The XLogP value of 3.0 indicates that EINECS 254-157-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 254-157-7. Following Lipinski's Rule of Five, EINECS 254-157-7 has 1 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 254-157-7?
The CAS number of EINECS 254-157-7 is 5041-92-9.
What is the molecular formula of EINECS 254-157-7?
The molecular formula of EINECS 254-157-7 is C16H23F13N2O6S2.
What is the molecular weight of EINECS 254-157-7?
The molecular weight of EINECS 254-157-7 is 650.08 g/mol.
Where can I buy EINECS 254-157-7?
You can request a quote for EINECS 254-157-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 254-157-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 254-157-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.