RefChem:430851
TL;DR: RefChem:430851 (CAS 67939-89-3) is a chemical compound with molecular formula C8H11F9NO6PS and molecular weight 450.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl dihydrogen phosphate
Also Known As: 1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-[2-(phosphonooxy)ethyl]-, 1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-(phosphonooxy)ethyl)-, 2-(Ethyl((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulphonyl)amino)ethyl dihydrogen phosphate, 2-{ethyl[(nonafluorobutyl)sulfonyl]amino}ethyl dihydrogen phosphate, N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-(phosphonooxy)ethyl)-1-butanesulfonamide
| Molecular Formula | C8H11F9NO6PS |
|---|---|
| Molecular Weight | 450.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.9901 |
| Heavy Atoms | 26 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 67939-89-3 |
|---|---|
| SMILES | CCN(CCOP(=O)(O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | QYPFYWKDTABJCJ-UHFFFAOYSA-N |
Product Overview
RefChem:430851 (CAS 67939-89-3), with molecular formula C8H11F9NO6PS and molecular weight 450.99 g/mol. IUPAC: 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl dihydrogen phosphate.
Chemical Property Profile of RefChem:430851
Property Insights of RefChem:430851
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:430851. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:430851. Following Lipinski's Rule of Five, RefChem:430851 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:430851?
The CAS number of RefChem:430851 is 67939-89-3.
What is the molecular formula of RefChem:430851?
The molecular formula of RefChem:430851 is C8H11F9NO6PS.
What is the molecular weight of RefChem:430851?
The molecular weight of RefChem:430851 is 450.99 g/mol.
Where can I buy RefChem:430851?
You can request a quote for RefChem:430851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:430851?
Yes, KEHONG BIO provides custom synthesis services for RefChem:430851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.