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Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
TL;DR: Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate (CAS 3871-50-9) is a chemical compound with molecular formula C26H20F34N2Na2O8S2 and molecular weight 1243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetate;formaldehyde;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfinylamino)acetate;propane
Also Known As: N-Ethyl-N-((heptadecafluorooctyl)sulfonyl)glycine, sodium salt, Sodium N-ethyl-N-((heptadecafluorooctyl)sulphonyl)glycinate, Glycine, N-ethyl-N-((heptadecafluorooctyl)sulfonyl)-, sodium salt, Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate, N-Ethyl-N-((heptadecafluorooctyl)sulfonyl)glycine,sodium salt
| Molecular Formula | C26H20F34N2Na2O8S2 |
|---|---|
| Molecular Weight | 1243.99 g/mol |
| LogP | 1.55 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 45 |
| Rotatable Bonds | 19 |
| Exact Mass | 1243.9913 |
| Heavy Atoms | 74 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 3871-50-9 |
|---|---|
| SMILES | CCC.CCN(CC(=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.C=O.C(C(=O)[O-])NS(=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.[Na+].[Na+] |
| InChIKey | POLNOYJHHUODTP-UHFFFAOYSA-L |
Product Overview
Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate (CAS 3871-50-9), with molecular formula C26H20F34N2Na2O8S2 and molecular weight 1243.99 g/mol. IUPAC: disodium;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetate;formaldehyde;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfinylamino)acetate;propane.
Chemical Property Profile of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
Property Insights of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate. The TPSA of 191.0 Ų indicates high polarity, suggesting Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate has 1 hydrogen bond donor(s) and 45 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate?
The CAS number of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate is 3871-50-9.
What is the molecular formula of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate?
The molecular formula of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate is C26H20F34N2Na2O8S2.
What is the molecular weight of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate?
The molecular weight of Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate is 1243.99 g/mol.
Where can I buy Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate?
You can request a quote for Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate?
Yes, KEHONG BIO provides custom synthesis services for Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.