RefChem:77107
TL;DR: RefChem:77107 (CAS 61798-69-4) is a chemical compound with molecular formula C16H21F13N2O4S and molecular weight 584.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]propanoate
Also Known As: 1-Propanaminium, N-(2-carboxyethyl)-N,N-dimethyl-3-[[(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-(((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl)amino)-, inner salt, (2-carboxyethyl)dimethyl-3-[[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulphonyl]amino]propylammonium hydroxide, 3-[dimethyl(3-{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propyl)ammonio]propanoate, N-(2-Carboxyethyl)-N,N-dimethyl-3-[[(perfluorohexyl)ethylsulfonyl]amino]propanaminium
| Molecular Formula | C16H21F13N2O4S |
|---|---|
| Molecular Weight | 584.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 584.10144 |
| Heavy Atoms | 36 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 61798-69-4 |
|---|---|
| SMILES | C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)[O-] |
| InChIKey | STSGGDGRBYWSDX-UHFFFAOYSA-N |
Product Overview
RefChem:77107 (CAS 61798-69-4), with molecular formula C16H21F13N2O4S and molecular weight 584.10 g/mol. IUPAC: 3-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]propanoate.
Chemical Property Profile of RefChem:77107
Property Insights of RefChem:77107
The XLogP value of 4.7 indicates that RefChem:77107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77107. Following Lipinski's Rule of Five, RefChem:77107 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 RefChem:77107?
The CAS number of RefChem:77107 is 61798-69-4.
What is the molecular formula of RefChem:77107?
The molecular formula of RefChem:77107 is C16H21F13N2O4S.
What is the molecular weight of RefChem:77107?
The molecular weight of RefChem:77107 is 584.10 g/mol.
Where can I buy RefChem:77107?
You can request a quote for RefChem:77107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.