RefChem:435959
TL;DR: RefChem:435959 (CAS 68298-11-3) is a chemical compound with molecular formula C18H23F17N2O6S2 and molecular weight 750.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-dimethylazaniumyl]ethanolate
Also Known As: 1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)(3-sulfopropyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-, inner salt, 1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)(3-sulfopropyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-, inner salt, N,N-Dimethyl-3-(((heptadecafluorooctyl)sulfonyl(N-(3-sulfopropyl))amino)-N-(2-hydroxyethyl)-1-propanaminium hydroxide inner salt, 1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)(3-sulfopropyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide, inner salt, 1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl](3-sulfopropyl)amino]-N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide, inner salt
| Molecular Formula | C18H23F17N2O6S2 |
|---|---|
| Molecular Weight | 750.07 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Exact Mass | 750.07263 |
| Heavy Atoms | 45 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 68298-11-3 |
|---|---|
| SMILES | C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC[O-] |
| InChIKey | SNTCPXZDMUXYEP-UHFFFAOYSA-N |
Product Overview
RefChem:435959 (CAS 68298-11-3), with molecular formula C18H23F17N2O6S2 and molecular weight 750.07 g/mol. IUPAC: 2-[3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-dimethylazaniumyl]ethanolate.
Chemical Property Profile of RefChem:435959
Property Insights of RefChem:435959
The XLogP value of 5.5 indicates that RefChem:435959 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 RefChem:435959. Following Lipinski's Rule of Five, RefChem:435959 has 1 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:435959?
The CAS number of RefChem:435959 is 68298-11-3.
What is the molecular formula of RefChem:435959?
The molecular formula of RefChem:435959 is C18H23F17N2O6S2.
What is the molecular weight of RefChem:435959?
The molecular weight of RefChem:435959 is 750.07 g/mol.
Where can I buy RefChem:435959?
You can request a quote for RefChem:435959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435959?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.